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

C12H18Cl2FN — CID 171209149

IUPAC(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCc1ccc(Cl)c([C@H](N)CC(C)C)c1F.Cl
InChIInChI=1S/C12H17ClFN.ClH/c1-7(2)6-10(15)11-9(13)5-4-8(3)12(11)14;/h4-5,7,10H,6,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyYKNAWYVCJZNFKT-HNCPQSOCSA-N
MW266.19 g/mol
LogP4.26
Rot. Bonds3

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

(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171209149) 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)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171209149
Molecular FormulaC12H18Cl2FN
Molecular Weight266.19 g/mol
Exact Mass265.08
IUPAC Name(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCc1ccc(Cl)c([C@H](N)CC(C)C)c1F.Cl
InChIInChI=1S/C12H17ClFN.ClH/c1-7(2)6-10(15)11-9(13)5-4-8(3)12(11)14;/h4-5,7,10H,6,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyYKNAWYVCJZNFKT-HNCPQSOCSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,6-dichloro-2-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171235268
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171208998
(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171229290
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
CID 171209145
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171215588
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
(1S)-1-(3,6-dichloro-2-fluorophenyl)-4-methylpentan-1-amine
CID 171235289
(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171249436
2-[(1R)-1-amino-3-methylbutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171256902
(1S,2R)-1-amino-1-(6-chloro-2-fluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171269558
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride (CID 171209149) is (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride is Cc1ccc(Cl)c([C@H](N)CC(C)C)c1F.Cl.
What is the InChIKey of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is YKNAWYVCJZNFKT-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17ClFN.ClH/c1-7(2)6-10(15)11-9(13)5-4-8(3)12(11)14;/h4-5,7,10H,6,15H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 266.19 g/mol, XLogP of 4.26, 3 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)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171209149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).