2-(5-chloro-2,4-difluorophenyl)butan-2-amine

C10H12ClF2N — CID 130133970

IUPAC2-(5-chloro-2,4-difluorophenyl)butan-2-amine
SMILESCCC(C)(N)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H12ClF2N/c1-3-10(2,14)6-4-7(11)9(13)5-8(6)12/h4-5H,3,14H2,1-2H3
InChIKeyQOHDLVPBKIKBCP-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.20
Rot. Bonds2

About 2-(5-chloro-2,4-difluorophenyl)butan-2-amine

2-(5-chloro-2,4-difluorophenyl)butan-2-amine (PubChem CID 130133970) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluorophenyl)butan-2-amine
PubChem CID130133970
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-(5-chloro-2,4-difluorophenyl)butan-2-amine
SMILESCCC(C)(N)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H12ClF2N/c1-3-10(2,14)6-4-7(11)9(13)5-8(6)12/h4-5H,3,14H2,1-2H3
InChIKeyQOHDLVPBKIKBCP-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(5-chloro-2,4-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

4-(2-aminobutan-2-yl)-3-fluoroaniline
CID 130134130
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(2-fluoro-5-methylphenyl)butan-2-amine
CID 62791444
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
The IUPAC name of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine (CID 130133970) is 2-(5-chloro-2,4-difluorophenyl)butan-2-amine.
What is the SMILES notation for 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
The canonical SMILES for 2-(5-chloro-2,4-difluorophenyl)butan-2-amine is CCC(C)(N)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
The InChIKey is QOHDLVPBKIKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-3-10(2,14)6-4-7(11)9(13)5-8(6)12/h4-5H,3,14H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-difluorophenyl)butan-2-amine?
2-(5-chloro-2,4-difluorophenyl)butan-2-amine has a molecular weight of 219.66 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluorophenyl)butan-2-amine is sourced from PubChem (CID 130133970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).