(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine

C11H15ClFN — CID 130974244

IUPAC(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyRTBGJEMGDCSUTJ-SNVBAGLBSA-N
MW215.70 g/mol
LogP3.53
Rot. Bonds1

About (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine

(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130974244) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130974244
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyRTBGJEMGDCSUTJ-SNVBAGLBSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.53
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)-2,2,2-trifluoroethanamine
CID 56971915
(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246807
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 130974244) is (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@H](N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is RTBGJEMGDCSUTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine?
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130974244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).