N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine

C18H23NO — CID 18357750

IUPACN-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCOc1cccc(C(C)NCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(17-11-6-12-18(14-17)20-2)19-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15,19H,7,10,13H2,1-2H3
InChIKeyWOPAHKKTEVUGOE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine

N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine (PubChem CID 18357750) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
PubChem CID18357750
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCOc1cccc(C(C)NCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(17-11-6-12-18(14-17)20-2)19-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15,19H,7,10,13H2,1-2H3
InChIKeyWOPAHKKTEVUGOE-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
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

N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-methyl-N'-[1-[3-(3-phenylpropoxy)phenyl]ethyl]propane-1,3-diamine
CID 21422403
N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
CID 43094769
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine (CID 18357750) is N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine is COc1cccc(C(C)NCCCc2ccccc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is WOPAHKKTEVUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(17-11-6-12-18(14-17)20-2)19-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15,19H,7,10,13H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 18357750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).