(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride

C12H18Cl2FN — CID 171209145

IUPAC(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(Cl)ccc(C)c1F.Cl
InChIInChI=1S/C12H17ClFN.ClH/c1-3-4-5-10(15)11-9(13)7-6-8(2)12(11)14;/h6-7,10H,3-5,15H2,1-2H3;1H/t10-;/m1./s1
InChIKeyJYXMMSXJMPQNMY-HNCPQSOCSA-N
MW266.19 g/mol
LogP4.40
Rot. Bonds4

About (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride

(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride (PubChem CID 171209145) has the molecular formula C12H18Cl2FN and a molecular weight of 266.19 g/mol. Its IUPAC name is (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
PubChem CID171209145
Molecular FormulaC12H18Cl2FN
Molecular Weight266.19 g/mol
Exact Mass265.08
IUPAC Name(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(Cl)ccc(C)c1F.Cl
InChIInChI=1S/C12H17ClFN.ClH/c1-3-4-5-10(15)11-9(13)7-6-8(2)12(11)14;/h6-7,10H,3-5,15H2,1-2H3;1H/t10-;/m1./s1
InChIKeyJYXMMSXJMPQNMY-HNCPQSOCSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,6-difluoro-3-methylphenyl)hexan-1-amine;hydrochloride
CID 171229559
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209149
1-(2,6-difluoro-3-methylphenyl)hexan-1-amine
CID 115837632
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
CID 171210929
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
(1S)-1-(2,6-difluoro-3-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171229550
(1R)-1-(3,6-dichloro-2-fluorophenyl)propane-1,3-diamine
CID 131149390
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171249436
(1S)-1-(3,6-dichloro-2-fluorophenyl)-4-methylpentan-1-amine
CID 171235289

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride (CID 171209145) is (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1c(Cl)ccc(C)c1F.Cl.
What is the InChIKey of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride?
The InChIKey is JYXMMSXJMPQNMY-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17ClFN.ClH/c1-3-4-5-10(15)11-9(13)7-6-8(2)12(11)14;/h6-7,10H,3-5,15H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride?
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride has a molecular weight of 266.19 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171209145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).