N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine

C18H23NO — CID 81376233

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NC(C)c2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13-8-10-16(11-9-13)14(2)19-15(3)17-6-5-7-18(12-17)20-4/h5-12,14-15,19H,1-4H3/t14?,15-/m0/s1
InChIKeyRQEVDYVMQXYSOB-LOACHALJSA-N
MW269.39 g/mol
LogP4.42
Rot. Bonds5

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81376233) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81376233
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NC(C)c2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO/c1-13-8-10-16(11-9-13)14(2)19-15(3)17-6-5-7-18(12-17)20-4/h5-12,14-15,19H,1-4H3/t14?,15-/m0/s1
InChIKeyRQEVDYVMQXYSOB-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

4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 60944542
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine (CID 81376233) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine is COc1cccc([C@H](C)NC(C)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is RQEVDYVMQXYSOB-LOACHALJSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-10-16(11-9-13)14(2)19-15(3)17-6-5-7-18(12-17)20-4/h5-12,14-15,19H,1-4H3/t14?,15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)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 N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81376233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).