(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine

C10H14FN — CID 45072383

IUPAC(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1cccc(F)c1C
InChIInChI=1S/C10H14FN/c1-3-10(12)8-5-4-6-9(11)7(8)2/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyKFGSOMNNVQMJJH-SNVBAGLBSA-N
MW167.23 g/mol
LogP2.54
Rot. Bonds2

About (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine

(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 45072383) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
PubChem CID45072383
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1cccc(F)c1C
InChIInChI=1S/C10H14FN/c1-3-10(12)8-5-4-6-9(11)7(8)2/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyKFGSOMNNVQMJJH-SNVBAGLBSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
1-(2-fluorophenyl)propan-1-amine
CID 18439474
2-(1-aminopropyl)-6-fluoroaniline
CID 55282936
(1R)-3,3-difluoro-1-(3-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171313633
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(1S)-1-(3-fluoro-2-methylphenyl)but-3-en-1-amine
CID 131079548
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
(1S)-1-(3-fluoro-2-methylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171223401
(1R)-1-(3-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171203806
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine (CID 45072383) is (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine is CC[C@@H](N)c1cccc(F)c1C.
What is the InChIKey of (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is KFGSOMNNVQMJJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-10(12)8-5-4-6-9(11)7(8)2/h4-6,10H,3,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine?
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 45072383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).