(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride

C11H15Cl2F2N — CID 171210929

IUPAC(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(F)cc(Cl)cc1F.Cl
InChIInChI=1S/C11H14ClF2N.ClH/c1-2-3-4-10(15)11-8(13)5-7(12)6-9(11)14;/h5-6,10H,2-4,15H2,1H3;1H/t10-;/m1./s1
InChIKeyXXHLPGPTARGTRP-HNCPQSOCSA-N
MW270.15 g/mol
LogP4.23
Rot. Bonds4

About (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride

(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride (PubChem CID 171210929) has the molecular formula C11H15Cl2F2N and a molecular weight of 270.15 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
PubChem CID171210929
Molecular FormulaC11H15Cl2F2N
Molecular Weight270.15 g/mol
Exact Mass269.05
IUPAC Name(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(F)cc(Cl)cc1F.Cl
InChIInChI=1S/C11H14ClF2N.ClH/c1-2-3-4-10(15)11-8(13)5-7(12)6-9(11)14;/h5-6,10H,2-4,15H2,1H3;1H/t10-;/m1./s1
InChIKeyXXHLPGPTARGTRP-HNCPQSOCSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride 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,2S)-1-amino-1-(4-chloro-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171264386
(1S)-1-(2,4,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171224460
(1R)-1-(4-chloro-2,6-difluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171230517
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
(1R)-1-(2,3,6-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205100
1-[(1S)-1-(4-chloro-2,6-difluorophenyl)pentyl]piperazine;hydrochloride
CID 171166930
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
CID 171209145
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131403549
(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171216128
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride (CID 171210929) is (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1c(F)cc(Cl)cc1F.Cl.
What is the InChIKey of (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride?
The InChIKey is XXHLPGPTARGTRP-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14ClF2N.ClH/c1-2-3-4-10(15)11-8(13)5-7(12)6-9(11)14;/h5-6,10H,2-4,15H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride?
(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride has a molecular weight of 270.15 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171210929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).