1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine

C11H16ClFN2 — CID 116934362

IUPAC1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
SMILESCC(N)CCC(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-7(14)2-5-11(15)8-3-4-10(13)9(12)6-8/h3-4,6-7,11H,2,5,14-15H2,1H3
InChIKeyZRESAONMCKNIPF-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.61
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine

1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine (PubChem CID 116934362) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
PubChem CID116934362
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
SMILESCC(N)CCC(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-7(14)2-5-11(15)8-3-4-10(13)9(12)6-8/h3-4,6-7,11H,2,5,14-15H2,1H3
InChIKeyZRESAONMCKNIPF-UHFFFAOYSA-N
XLogP2.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)pentane-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

3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
CID 114993091
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284
1-(3-chloro-4-fluorophenyl)pent-3-yn-1-amine
CID 63093128
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine (CID 116934362) is 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine is CC(N)CCC(N)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine?
The InChIKey is ZRESAONMCKNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-7(14)2-5-11(15)8-3-4-10(13)9(12)6-8/h3-4,6-7,11H,2,5,14-15H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine?
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine is sourced from PubChem (CID 116934362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).