(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride

C11H15Cl2F2N — CID 171208998

IUPAC(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1c(F)ccc(Cl)c1F.Cl
InChIInChI=1S/C11H14ClF2N.ClH/c1-6(2)5-9(15)10-8(13)4-3-7(12)11(10)14;/h3-4,6,9H,5,15H2,1-2H3;1H/t9-;/m1./s1
InChIKeyPZPZTUDMBVZUEI-SBSPUUFOSA-N
MW270.15 g/mol
LogP4.09
Rot. Bonds3

About (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171208998) has the molecular formula C11H15Cl2F2N and a molecular weight of 270.15 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171208998
Molecular FormulaC11H15Cl2F2N
Molecular Weight270.15 g/mol
Exact Mass269.05
IUPAC Name(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1c(F)ccc(Cl)c1F.Cl
InChIInChI=1S/C11H14ClF2N.ClH/c1-6(2)5-9(15)10-8(13)4-3-7(12)11(10)14;/h3-4,6,9H,5,15H2,1-2H3;1H/t9-;/m1./s1
InChIKeyPZPZTUDMBVZUEI-SBSPUUFOSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3,6-dichloro-2-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171235268
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171215588
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
CID 130713439
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209149
(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171229290
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
ethyl (3S)-3-amino-3-(3-chloro-2,6-difluorophenyl)propanoate;hydrochloride
CID 171228607
(1S)-1-(3,6-dichloro-2-fluorophenyl)-4-methylpentan-1-amine
CID 171235289
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride (CID 171208998) is (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1c(F)ccc(Cl)c1F.Cl.
What is the InChIKey of (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is PZPZTUDMBVZUEI-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14ClF2N.ClH/c1-6(2)5-9(15)10-8(13)4-3-7(12)11(10)14;/h3-4,6,9H,5,15H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 270.15 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).