(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride

C11H16Cl2FN — CID 171246807

IUPAC(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClFN.ClH/c1-11(2,3)10(14)7-4-5-9(13)8(12)6-7;/h4-6,10H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyGFTHJHMXGMGDMK-PPHPATTJSA-N
MW252.16 g/mol
LogP3.95
Rot. Bonds1

About (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride

(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171246807) has the molecular formula C11H16Cl2FN and a molecular weight of 252.16 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171246807
Molecular FormulaC11H16Cl2FN
Molecular Weight252.16 g/mol
Exact Mass251.06
IUPAC Name(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C11H15ClFN.ClH/c1-11(2,3)10(14)7-4-5-9(13)8(12)6-7;/h4-6,10H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyGFTHJHMXGMGDMK-PPHPATTJSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 116938921
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 123991915
ethyl (3S)-3-amino-3-(3-chloro-4-fluorophenyl)-2,2-difluoropropanoate
CID 171246798

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171246807) is (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is GFTHJHMXGMGDMK-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15ClFN.ClH/c1-11(2,3)10(14)7-4-5-9(13)8(12)6-7;/h4-6,10H,14H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 252.16 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171246807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).