N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine

C25H29NO — CID 154511007

IUPACN-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
SMILESCOc1ccccc1CCCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-27-25-17-9-8-15-23(25)16-10-19-26-20-18-24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-9,11-15,17,24,26H,10,16,18-20H2,1H3
InChIKeySFPNUROAIGPNSA-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.44
Rot. Bonds10

About N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine

N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine (PubChem CID 154511007) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
PubChem CID154511007
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
SMILESCOc1ccccc1CCCNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO/c1-27-25-17-9-8-15-23(25)16-10-19-26-20-18-24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-9,11-15,17,24,26H,10,16,18-20H2,1H3
InChIKeySFPNUROAIGPNSA-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
1-(4-chlorohexyl)-2-methoxybenzene
CID 64507973

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine (CID 154511007) is N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine is COc1ccccc1CCCNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine?
The InChIKey is SFPNUROAIGPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-27-25-17-9-8-15-23(25)16-10-19-26-20-18-24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-9,11-15,17,24,26H,10,16,18-20H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine?
N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine has a molecular weight of 359.51 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine is sourced from PubChem (CID 154511007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).