(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride

C10H13Cl2F2N — CID 171313878

IUPAC(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCc1cc(Cl)ccc1[C@H](N)CC(F)F.Cl
InChIInChI=1S/C10H12ClF2N.ClH/c1-6-4-7(11)2-3-8(6)9(14)5-10(12)13;/h2-4,9-10H,5,14H2,1H3;1H/t9-;/m1./s1
InChIKeyXGMYVNJRBYEHPX-SBSPUUFOSA-N
MW256.12 g/mol
LogP3.73
Rot. Bonds3

About (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313878) has the molecular formula C10H13Cl2F2N and a molecular weight of 256.12 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313878
Molecular FormulaC10H13Cl2F2N
Molecular Weight256.12 g/mol
Exact Mass255.04
IUPAC Name(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCc1cc(Cl)ccc1[C@H](N)CC(F)F.Cl
InChIInChI=1S/C10H12ClF2N.ClH/c1-6-4-7(11)2-3-8(6)9(14)5-10(12)13;/h2-4,9-10H,5,14H2,1H3;1H/t9-;/m1./s1
InChIKeyXGMYVNJRBYEHPX-SBSPUUFOSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1S)-1-(2-bromo-4-chlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313001
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313878) is (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride is Cc1cc(Cl)ccc1[C@H](N)CC(F)F.Cl.
What is the InChIKey of (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is XGMYVNJRBYEHPX-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12ClF2N.ClH/c1-6-4-7(11)2-3-8(6)9(14)5-10(12)13;/h2-4,9-10H,5,14H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 256.12 g/mol, XLogP of 3.73, 3 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-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).