N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine

C25H29NO — CID 2846382

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
SMILESCOc1ccc(CC(C)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO/c1-20(19-21-13-15-24(27-2)16-14-21)26-18-17-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20,25-26H,17-19H2,1-2H3
InChIKeyJBDNRLFNOXESPO-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.44
Rot. Bonds9

About N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine (PubChem CID 2846382) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
PubChem CID2846382
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
SMILESCOc1ccc(CC(C)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO/c1-20(19-21-13-15-24(27-2)16-14-21)26-18-17-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20,25-26H,17-19H2,1-2H3
InChIKeyJBDNRLFNOXESPO-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine (CID 2846382) is N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine is COc1ccc(CC(C)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine?
The InChIKey is JBDNRLFNOXESPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-20(19-21-13-15-24(27-2)16-14-21)26-18-17-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,20,25-26H,17-19H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine has a molecular weight of 359.51 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine is sourced from PubChem (CID 2846382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).