(2S)-2-(4-methoxyphenyl)butan-1-amine

C11H17NO — CID 15215732

IUPAC(2S)-2-(4-methoxyphenyl)butan-1-amine
SMILESCC[C@H](CN)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO/c1-3-9(8-12)10-4-6-11(13-2)7-5-10/h4-7,9H,3,8,12H2,1-2H3/t9-/m1/s1
InChIKeyIWUOBPCTJSFDIH-SECBINFHSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)butan-1-amine

(2S)-2-(4-methoxyphenyl)butan-1-amine (PubChem CID 15215732) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)butan-1-amine
PubChem CID15215732
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-(4-methoxyphenyl)butan-1-amine
SMILESCC[C@H](CN)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO/c1-3-9(8-12)10-4-6-11(13-2)7-5-10/h4-7,9H,3,8,12H2,1-2H3/t9-/m1/s1
InChIKeyIWUOBPCTJSFDIH-SECBINFHSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107529
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)butan-1-amine (CID 15215732) is (2S)-2-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)butan-1-amine is CC[C@H](CN)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)butan-1-amine?
The InChIKey is IWUOBPCTJSFDIH-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9(8-12)10-4-6-11(13-2)7-5-10/h4-7,9H,3,8,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)butan-1-amine?
(2S)-2-(4-methoxyphenyl)butan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 15215732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).