N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine

C18H23NO — CID 60799452

IUPACN-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C18H23NO/c1-3-12-19-18(13-15-8-5-4-6-9-15)16-10-7-11-17(14-16)20-2/h4-11,14,18-19H,3,12-13H2,1-2H3
InChIKeyOJBZWSZLIPRWJM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine

N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine (PubChem CID 60799452) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
PubChem CID60799452
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C18H23NO/c1-3-12-19-18(13-15-8-5-4-6-9-15)16-10-7-11-17(14-16)20-2/h4-11,14,18-19H,3,12-13H2,1-2H3
InChIKeyOJBZWSZLIPRWJM-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

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Related Compounds

N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 92573728
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
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N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43494996
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine (CID 60799452) is N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine?
The InChIKey is OJBZWSZLIPRWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-12-19-18(13-15-8-5-4-6-9-15)16-10-7-11-17(14-16)20-2/h4-11,14,18-19H,3,12-13H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine?
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-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)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 60799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).