1-(4-chloro-2,6-difluorophenyl)butan-2-amine

C10H12ClF2N — CID 130848043

IUPAC1-(4-chloro-2,6-difluorophenyl)butan-2-amine
SMILESCCC(N)Cc1c(F)cc(Cl)cc1F
InChIInChI=1S/C10H12ClF2N/c1-2-7(14)5-8-9(12)3-6(11)4-10(8)13/h3-4,7H,2,5,14H2,1H3
InChIKeyFGQCAUBLBLFTPG-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-chloro-2,6-difluorophenyl)butan-2-amine

1-(4-chloro-2,6-difluorophenyl)butan-2-amine (PubChem CID 130848043) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)butan-2-amine
PubChem CID130848043
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name1-(4-chloro-2,6-difluorophenyl)butan-2-amine
SMILESCCC(N)Cc1c(F)cc(Cl)cc1F
InChIInChI=1S/C10H12ClF2N/c1-2-7(14)5-8-9(12)3-6(11)4-10(8)13/h3-4,7H,2,5,14H2,1H3
InChIKeyFGQCAUBLBLFTPG-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-2,6-difluorophenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
2,6-bis(2-aminobutyl)-4-chlorophenol
CID 170888954
1-(2,3,4,5,6-pentafluorophenyl)butan-2-amine;hydrochloride
CID 170888418
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667098
1-(2,3-difluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889458
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)butan-2-amine?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)butan-2-amine (CID 130848043) is 1-(4-chloro-2,6-difluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)butan-2-amine?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)butan-2-amine is CCC(N)Cc1c(F)cc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)butan-2-amine?
The InChIKey is FGQCAUBLBLFTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-2-7(14)5-8-9(12)3-6(11)4-10(8)13/h3-4,7H,2,5,14H2,1H3.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)butan-2-amine?
1-(4-chloro-2,6-difluorophenyl)butan-2-amine has a molecular weight of 219.66 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)butan-2-amine is sourced from PubChem (CID 130848043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).