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

C23H25N — CID 3336

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IUPAC3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-19(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/h2-16,19,23-24H,17-18H2,1H3
InChIKeyNMKSAYKQLCHXDK-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.56
Rot. Bonds7

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

3,3-diphenyl-N-(1-phenylethyl)propan-1-amine (PubChem CID 3336) has the molecular formula C23H25N and a molecular weight of 315.46 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 CID3336
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
SMILESCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-19(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/h2-16,19,23-24H,17-18H2,1H3
InChIKeyNMKSAYKQLCHXDK-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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 3336) 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.
What is the InChIKey of 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine?
The InChIKey is NMKSAYKQLCHXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-19(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/h2-16,19,23-24H,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 315.46 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 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 3336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).