1-(3-chloro-4-fluorophenyl)butan-2-amine

C10H13ClFN — CID 79020957

IUPAC1-(3-chloro-4-fluorophenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-2-8(13)5-7-3-4-10(12)9(11)6-7/h3-4,6,8H,2,5,13H2,1H3
InChIKeyFBHDQPWFSZJJHF-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.76
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)butan-2-amine

1-(3-chloro-4-fluorophenyl)butan-2-amine (PubChem CID 79020957) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)butan-2-amine
PubChem CID79020957
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name1-(3-chloro-4-fluorophenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-2-8(13)5-7-3-4-10(12)9(11)6-7/h3-4,6,8H,2,5,13H2,1H3
InChIKeyFBHDQPWFSZJJHF-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine
CID 103039883
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 103039879
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63803843

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)butan-2-amine (CID 79020957) is 1-(3-chloro-4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)butan-2-amine is CCC(N)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)butan-2-amine?
The InChIKey is FBHDQPWFSZJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-2-8(13)5-7-3-4-10(12)9(11)6-7/h3-4,6,8H,2,5,13H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)butan-2-amine?
1-(3-chloro-4-fluorophenyl)butan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 79020957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).