3-(4-methoxyphenyl)butan-2-amine;hydrochloride

C11H18ClNO — CID 170910507

IUPAC3-(4-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCOc1ccc(C(C)C(C)N)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8(9(2)12)10-4-6-11(13-3)7-5-10;/h4-9H,12H2,1-3H3;1H
InChIKeyKNRMPAQLZXBJFF-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.57
Rot. Bonds3

About 3-(4-methoxyphenyl)butan-2-amine;hydrochloride

3-(4-methoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170910507) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170910507
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name3-(4-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCOc1ccc(C(C)C(C)N)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8(9(2)12)10-4-6-11(13-3)7-5-10;/h4-9H,12H2,1-3H3;1H
InChIKeyKNRMPAQLZXBJFF-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)butan-2-amine
CID 54524041
3-[4-(3-aminobutan-2-yl)phenyl]butan-2-amine;dihydrochloride
CID 57375944
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)butan-2-amine;hydrochloride (CID 170910507) is 3-(4-methoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)butan-2-amine;hydrochloride is COc1ccc(C(C)C(C)N)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is KNRMPAQLZXBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-8(9(2)12)10-4-6-11(13-3)7-5-10;/h4-9H,12H2,1-3H3;1H.
What are the key properties of 3-(4-methoxyphenyl)butan-2-amine;hydrochloride?
3-(4-methoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170910507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).