3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine

C11H15ClFNO — CID 84795108

IUPAC3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)c(C(C)CCN)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(3-4-14)11-9(12)5-8(15-2)6-10(11)13/h5-7H,3-4,14H2,1-2H3
InChIKeyQKXSLGJLJMAWGL-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.94
Rot. Bonds4

About 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine

3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine (PubChem CID 84795108) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
PubChem CID84795108
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine
SMILESCOc1cc(F)c(C(C)CCN)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-7(3-4-14)11-9(12)5-8(15-2)6-10(11)13/h5-7H,3-4,14H2,1-2H3
InChIKeyQKXSLGJLJMAWGL-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
3-(2-bromo-3-fluoro-5-methoxyphenyl)butan-1-amine
CID 84810957
3-(3-chloro-2,6-difluoro-5-methylphenyl)butan-1-amine
CID 117339667
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
2-(1-chloro-2-methylbutyl)-1,3-difluoro-5-methoxybenzene
CID 63427268
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]butan-1-amine
CID 117386595

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine (CID 84795108) is 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine is COc1cc(F)c(C(C)CCN)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine?
The InChIKey is QKXSLGJLJMAWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(3-4-14)11-9(12)5-8(15-2)6-10(11)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine?
3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluoro-4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 84795108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).