2-(3-fluoro-4-methylphenyl)propan-2-amine

C10H14FN — CID 79005020

IUPAC2-(3-fluoro-4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(C)N)cc1F
InChIInChI=1S/C10H14FN/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6H,12H2,1-3H3
InChIKeyNZCTVHLUOYKOEL-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.33
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)propan-2-amine

2-(3-fluoro-4-methylphenyl)propan-2-amine (PubChem CID 79005020) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)propan-2-amine
PubChem CID79005020
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(3-fluoro-4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(C)N)cc1F
InChIInChI=1S/C10H14FN/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6H,12H2,1-3H3
InChIKeyNZCTVHLUOYKOEL-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-aminopropan-2-yl)-2-methylaniline
CID 84651979
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
CID 107128253
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
CID 107129477
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
CID 146570721
4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
CID 20705742
4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
CID 126491653
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051317

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)propan-2-amine (CID 79005020) is 2-(3-fluoro-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)propan-2-amine is Cc1ccc(C(C)(C)N)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)propan-2-amine?
The InChIKey is NZCTVHLUOYKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6H,12H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)propan-2-amine?
2-(3-fluoro-4-methylphenyl)propan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 79005020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).