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

C10H14FN — CID 84652798

IUPAC3-fluoro-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(F)CCN
InChIInChI=1S/C10H14FN/c1-8-4-2-3-5-9(8)10(11)6-7-12/h2-5,10H,6-7,12H2,1H3
InChIKeyBNPJZXVDDYRHRV-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.35
Rot. Bonds3

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

3-fluoro-3-(2-methylphenyl)propan-1-amine (PubChem CID 84652798) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylphenyl)propan-1-amine
PubChem CID84652798
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name3-fluoro-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(F)CCN
InChIInChI=1S/C10H14FN/c1-8-4-2-3-5-9(8)10(11)6-7-12/h2-5,10H,6-7,12H2,1H3
InChIKeyBNPJZXVDDYRHRV-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
CID 107514810
3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
CID 67124192
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443570
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 23623913
2-(2-methylphenyl)decan-1-amine
CID 79421405
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421165
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-fluoro-3-(2-methylphenyl)propan-1-amine (CID 84652798) is 3-fluoro-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(F)CCN.
What is the InChIKey of 3-fluoro-3-(2-methylphenyl)propan-1-amine?
The InChIKey is BNPJZXVDDYRHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8-4-2-3-5-9(8)10(11)6-7-12/h2-5,10H,6-7,12H2,1H3.
What are the key properties of 3-fluoro-3-(2-methylphenyl)propan-1-amine?
3-fluoro-3-(2-methylphenyl)propan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 84652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).