3,3-diphenyl-N-(1-phenylethyl)propan-1-amine

C46H50N2 — CID 69294873

IUPAC3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C23H25N/c2*1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2*2-16,19,23-24H,17-18H2,1H3
InChIKeySZKZESAIKITYFM-UHFFFAOYSA-N
MW630.92 g/mol
LogP11.12
Rot. Bonds14

About 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine

3,3-diphenyl-N-(1-phenylethyl)propan-1-amine (PubChem CID 69294873) has the molecular formula C46H50N2 and a molecular weight of 630.92 g/mol. Its IUPAC name is 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
PubChem CID69294873
Molecular FormulaC46H50N2
Molecular Weight630.92 g/mol
Exact Mass630.40
IUPAC Name3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C23H25N/c2*1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2*2-16,19,23-24H,17-18H2,1H3
InChIKeySZKZESAIKITYFM-UHFFFAOYSA-N
XLogP11.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 511.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
3-phenyl-N-(1-phenylethyl)hexan-1-amine
CID 139750954
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
3-(1-phenylethylamino)propanoic acid
CID 2826777
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine (CID 69294873) is 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine is CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine?
The InChIKey is SZKZESAIKITYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N/c2*1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2*2-16,19,23-24H,17-18H2,1H3.
What are the key properties of 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine?
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine has a molecular weight of 630.92 g/mol, XLogP of 11.12, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 69294873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).