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

C31H32N2O2 — CID 11081091

IUPAC[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESCC1(C)O[C@@H](C(N)(c2ccccc2)c2ccccc2)[C@H](C(N)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H32N2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,32-33H2,1-2H3/t27-,28-/m1/s1
InChIKeyJIQBNMKKMIJMGK-VSGBNLITSA-N
MW464.61 g/mol
LogP5.31
Rot. Bonds6

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

[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine (PubChem CID 11081091) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine.

Molecular Properties

Compound Name[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
PubChem CID11081091
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC Name[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESCC1(C)O[C@@H](C(N)(c2ccccc2)c2ccccc2)[C@H](C(N)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H32N2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,32-33H2,1-2H3/t27-,28-/m1/s1
InChIKeyJIQBNMKKMIJMGK-VSGBNLITSA-N
XLogP5.31
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 10906723
N-[[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-1,1,1-trifluoromethanesulfonamide
CID 102457948
1-[(4S,5S)-2,2-dimethyl-5-[methylamino(diphenyl)methyl]-1,3-dioxolan-4-yl]-N-methyl-1,1-diphenylmethanamine
CID 10874665
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
(2R,3R,6R)-2,3-dimethyl-6-phenyl-N-phenylmethoxy-1,4-dioxaspiro[4.5]decan-6-amine
CID 101473708
(3aS,6aS)-2,2-dimethyl-4,4,6,6-tetraphenyl-5,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
CID 102457927
[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
CID 134837929
(1S)-1-phenyl-1-[(4S,5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanamine
CID 134958616
(1S,1'S,7S,7'S)-9,9,9',9'-tetramethyl-2,2,2',2',6,6,6',6'-octakis-phenylspiro[8,10-dioxa-3,5-diaza-4lambda5-phosphabicyclo[5.3.0]decane-4,4'-8,10-dioxa-5-aza-3-azonia-4lambda5-phosphabicyclo[5.3.0]dec-3-ene] chloride
CID 139046847
N-[[(4R,5R)-5-[diphenyl-[(2,2,2-trifluoroacetyl)amino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethyl]-2,2,2-trifluoroacetamide
CID 101711300

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The IUPAC name of [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine (CID 11081091) is [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine.
What is the SMILES notation for [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The canonical SMILES for [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine is CC1(C)O[C@@H](C(N)(c2ccccc2)c2ccccc2)[C@H](C(N)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The InChIKey is JIQBNMKKMIJMGK-VSGBNLITSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,32-33H2,1-2H3/t27-,28-/m1/s1.
What are the key properties of [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
[(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine has a molecular weight of 464.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[amino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine is sourced from PubChem (CID 11081091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).