1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine

C33H36N2O2 — CID 10874665

IUPAC1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine
SMILESCNC(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(NC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36N2O2/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,34-35H,1-4H3/t29-,30-/m1/s1
InChIKeyVFBNQWIUYZNQQT-LOYHVIPDSA-N
MW492.66 g/mol
LogP5.83
Rot. Bonds8

About 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine

1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine (PubChem CID 10874665) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine.

Molecular Properties

Compound Name1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine
PubChem CID10874665
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine
SMILESCNC(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(NC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36N2O2/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,34-35H,1-4H3/t29-,30-/m1/s1
InChIKeyVFBNQWIUYZNQQT-LOYHVIPDSA-N
XLogP5.83
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1R)-1-[(4S,5S)-5-[(1R)-1-(benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]amino]methyl]-2-fluorobenzonitrile
CID 9894113
5-[[[(1R)-1-[5-[(1R)-1-(benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]amino]methyl]-2-fluorobenzonitrile
CID 59953190
[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 11081091
lithium [[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethyl]-methylazanide
CID 14963853
1-[(4S,5R)-5-[chloro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine
CID 15347763
[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanethiol
CID 15347764
(3aS,6aS)-2,2-dimethyl-4,4,6,6-tetraphenyl-5,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 102457927
(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 102457930
(3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepine-6-thione
CID 102457931
(3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 123797980
[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 134837929
5-[[[1-[5-[1-(Benzylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]amino]methyl]-2-fluorobenzonitrile
CID 23382190

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine?
The IUPAC name of 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine (CID 10874665) is 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine.
What is the SMILES notation for 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine?
The canonical SMILES for 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine is CNC(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(NC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine?
The InChIKey is VFBNQWIUYZNQQT-LOYHVIPDSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-31(2)36-29(32(34-3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35-4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,34-35H,1-4H3/t29-,30-/m1/s1.
What are the key properties of 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine?
1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine has a molecular weight of 492.66 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine is sourced from PubChem (CID 10874665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).