3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline

C17H21NO — CID 29291478

IUPAC3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
SMILESCOc1cccc(N[C@@H](C)CCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-14(11-12-15-7-4-3-5-8-15)18-16-9-6-10-17(13-16)19-2/h3-10,13-14,18H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyVEBVJJSQOUJSGV-AWEZNQCLSA-N
MW255.36 g/mol
LogP4.13
Rot. Bonds6

About 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline

3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline (PubChem CID 29291478) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
PubChem CID29291478
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
SMILESCOc1cccc(N[C@@H](C)CCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-14(11-12-15-7-4-3-5-8-15)18-16-9-6-10-17(13-16)19-2/h3-10,13-14,18H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyVEBVJJSQOUJSGV-AWEZNQCLSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
3-ethynyl-N-(4-phenylbutan-2-yl)aniline
CID 43095441
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
3,4-dichloro-N-(4-phenylbutan-2-yl)aniline
CID 43110414
N-(5-phenylpentan-2-yl)aniline
CID 134967933
3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43760298
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
N-(4-phenylbutan-2-yl)-4-propan-2-ylaniline
CID 43107704

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline?
The IUPAC name of 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline (CID 29291478) is 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline.
What is the SMILES notation for 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline?
The canonical SMILES for 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline is COc1cccc(N[C@@H](C)CCc2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline?
The InChIKey is VEBVJJSQOUJSGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO/c1-14(11-12-15-7-4-3-5-8-15)18-16-9-6-10-17(13-16)19-2/h3-10,13-14,18H,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline?
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline is sourced from PubChem (CID 29291478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).