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

C33H35NO2 — CID 101050006

IUPAC1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO2/c1-32(2)35-30(29(25-17-9-5-10-18-25)26-19-11-6-12-20-26)31(36-32)33(34(3)4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-31H,1-4H3/t30-,31+/m0/s1
InChIKeyBEEIFPAGZFISJG-IOWSJCHKSA-N
MW477.65 g/mol
LogP6.84
Rot. Bonds7

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

1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine (PubChem CID 101050006) has the molecular formula C33H35NO2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine.

Molecular Properties

Compound Name1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine
PubChem CID101050006
Molecular FormulaC33H35NO2
Molecular Weight477.65 g/mol
Exact Mass477.27
IUPAC Name1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO2/c1-32(2)35-30(29(25-17-9-5-10-18-25)26-19-11-6-12-20-26)31(36-32)33(34(3)4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-31H,1-4H3/t30-,31+/m0/s1
InChIKeyBEEIFPAGZFISJG-IOWSJCHKSA-N
XLogP6.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine?
The IUPAC name of 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine (CID 101050006) is 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine.
What is the SMILES notation for 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine?
The canonical SMILES for 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine is CN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine?
The InChIKey is BEEIFPAGZFISJG-IOWSJCHKSA-N. The full InChI is InChI=1S/C33H35NO2/c1-32(2)35-30(29(25-17-9-5-10-18-25)26-19-11-6-12-20-26)31(36-32)33(34(3)4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-31H,1-4H3/t30-,31+/m0/s1.
What are the key properties of 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine?
1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine has a molecular weight of 477.65 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5S)-5-benzhydryl-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-1,1-diphenylmethanamine is sourced from PubChem (CID 101050006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).