(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine

C10H13ClFN — CID 131449010

IUPAC(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
SMILESCc1cccc(Cl)c1[C@@H](N)CCF
InChIInChI=1S/C10H13ClFN/c1-7-3-2-4-8(11)10(7)9(13)5-6-12/h2-4,9H,5-6,13H2,1H3/t9-/m0/s1
InChIKeyOXFSNDDOFFVGCU-VIFPVBQESA-N
MW201.67 g/mol
LogP3.01
Rot. Bonds3

About (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine

(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine (PubChem CID 131449010) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
PubChem CID131449010
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
SMILESCc1cccc(Cl)c1[C@@H](N)CCF
InChIInChI=1S/C10H13ClFN/c1-7-3-2-4-8(11)10(7)9(13)5-6-12/h2-4,9H,5-6,13H2,1H3/t9-/m0/s1
InChIKeyOXFSNDDOFFVGCU-VIFPVBQESA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204326
(1S)-1-(2-chloro-6-methylphenyl)butan-1-amine
CID 131080985
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine (CID 131449010) is (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine is Cc1cccc(Cl)c1[C@@H](N)CCF.
What is the InChIKey of (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine?
The InChIKey is OXFSNDDOFFVGCU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7-3-2-4-8(11)10(7)9(13)5-6-12/h2-4,9H,5-6,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine?
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine has a molecular weight of 201.67 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131449010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).