N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine

C18H23NO — CID 81397712

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
SMILESCOc1ccccc1[C@H](C)NCC(C)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(16-9-5-4-6-10-16)13-19-15(2)17-11-7-8-12-18(17)20-3/h4-12,14-15,19H,13H2,1-3H3/t14?,15-/m0/s1
InChIKeyZBAPTVDUGXWHIV-LOACHALJSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds6

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine (PubChem CID 81397712) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
PubChem CID81397712
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
SMILESCOc1ccccc1[C@H](C)NCC(C)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(16-9-5-4-6-10-16)13-19-15(2)17-11-7-8-12-18(17)20-3/h4-12,14-15,19H,13H2,1-3H3/t14?,15-/m0/s1
InChIKeyZBAPTVDUGXWHIV-LOACHALJSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107440
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342342
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 103257726

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine (CID 81397712) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine is COc1ccccc1[C@H](C)NCC(C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is ZBAPTVDUGXWHIV-LOACHALJSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(16-9-5-4-6-10-16)13-19-15(2)17-11-7-8-12-18(17)20-3/h4-12,14-15,19H,13H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 81397712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).