3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine

C14H23NO2 — CID 113260762

IUPAC3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
SMILESCOc1ccc(C(C)NC(C)C(C)OC)cc1
InChIInChI=1S/C14H23NO2/c1-10(12(3)16-4)15-11(2)13-6-8-14(17-5)9-7-13/h6-12,15H,1-5H3
InChIKeyZZENTZHXDAYGTO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds6

About 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine

3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine (PubChem CID 113260762) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
PubChem CID113260762
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
SMILESCOc1ccc(C(C)NC(C)C(C)OC)cc1
InChIInChI=1S/C14H23NO2/c1-10(12(3)16-4)15-11(2)13-6-8-14(17-5)9-7-13/h6-12,15H,1-5H3
InChIKeyZZENTZHXDAYGTO-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
CID 115705865
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
CID 115894684
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
(1S)-1-(4-methoxyphenyl)-N-propan-2-yloxyethanamine
CID 163358815
(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81370556
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine (CID 113260762) is 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine is COc1ccc(C(C)NC(C)C(C)OC)cc1.
What is the InChIKey of 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine?
The InChIKey is ZZENTZHXDAYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(12(3)16-4)15-11(2)13-6-8-14(17-5)9-7-13/h6-12,15H,1-5H3.
What are the key properties of 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine?
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 113260762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).