1-(2-chloro-3-methoxyphenyl)butan-1-amine

C11H16ClNO — CID 86262887

IUPAC1-(2-chloro-3-methoxyphenyl)butan-1-amine
SMILESCCCC(N)c1cccc(OC)c1Cl
InChIInChI=1S/C11H16ClNO/c1-3-5-9(13)8-6-4-7-10(14-2)11(8)12/h4,6-7,9H,3,5,13H2,1-2H3
InChIKeyHNTXEUXDCSBBLM-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-chloro-3-methoxyphenyl)butan-1-amine

1-(2-chloro-3-methoxyphenyl)butan-1-amine (PubChem CID 86262887) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(2-chloro-3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methoxyphenyl)butan-1-amine
PubChem CID86262887
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(2-chloro-3-methoxyphenyl)butan-1-amine
SMILESCCCC(N)c1cccc(OC)c1Cl
InChIInChI=1S/C11H16ClNO/c1-3-5-9(13)8-6-4-7-10(14-2)11(8)12/h4,6-7,9H,3,5,13H2,1-2H3
InChIKeyHNTXEUXDCSBBLM-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propane-1-thiol
CID 116831304
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
1-(2,3,4-trichlorophenyl)butan-1-amine
CID 82550973
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methoxyphenyl)butan-1-amine?
The IUPAC name of 1-(2-chloro-3-methoxyphenyl)butan-1-amine (CID 86262887) is 1-(2-chloro-3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methoxyphenyl)butan-1-amine?
The canonical SMILES for 1-(2-chloro-3-methoxyphenyl)butan-1-amine is CCCC(N)c1cccc(OC)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methoxyphenyl)butan-1-amine?
The InChIKey is HNTXEUXDCSBBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-5-9(13)8-6-4-7-10(14-2)11(8)12/h4,6-7,9H,3,5,13H2,1-2H3.
What are the key properties of 1-(2-chloro-3-methoxyphenyl)butan-1-amine?
1-(2-chloro-3-methoxyphenyl)butan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 86262887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).