1-(5-chloro-2-fluorophenyl)butane-1,4-diamine

C10H14ClFN2 — CID 116933749

IUPAC1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
SMILESNCCCC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN2/c11-7-3-4-9(12)8(6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2
InChIKeySQJISYZBYBKGIL-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.22
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine

1-(5-chloro-2-fluorophenyl)butane-1,4-diamine (PubChem CID 116933749) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
PubChem CID116933749
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
SMILESNCCCC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN2/c11-7-3-4-9(12)8(6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2
InChIKeySQJISYZBYBKGIL-UHFFFAOYSA-N
XLogP2.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine 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

(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171227093
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine (CID 116933749) is 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine is NCCCC(N)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine?
The InChIKey is SQJISYZBYBKGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c11-7-3-4-9(12)8(6-7)10(14)2-1-5-13/h3-4,6,10H,1-2,5,13-14H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine?
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 116933749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).