1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine

C18H23NO — CID 81374819

IUPAC1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCOc1cccc(C(C)N[C@@H](C)c2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-5-6-11-18(13)15(3)19-14(2)16-9-7-10-17(12-16)20-4/h5-12,14-15,19H,1-4H3/t14?,15-/m0/s1
InChIKeyKMQWTUPZVPMENA-LOACHALJSA-N
MW269.39 g/mol
LogP4.42
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine

1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81374819) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81374819
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
SMILESCOc1cccc(C(C)N[C@@H](C)c2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-5-6-11-18(13)15(3)19-14(2)16-9-7-10-17(12-16)20-4/h5-12,14-15,19H,1-4H3/t14?,15-/m0/s1
InChIKeyKMQWTUPZVPMENA-LOACHALJSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
1-(4-fluoro-3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 83059000

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine (CID 81374819) is 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is COc1cccc(C(C)N[C@@H](C)c2ccccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is KMQWTUPZVPMENA-LOACHALJSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-5-6-11-18(13)15(3)19-14(2)16-9-7-10-17(12-16)20-4/h5-12,14-15,19H,1-4H3/t14?,15-/m0/s1.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine?
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81374819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).