3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine

C10H12F3N — CID 79016159

IUPAC3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-7-3-2-4-8(5-7)9(6-14)10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeyMCYVPLUPNPMIQZ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.60
Rot. Bonds2

About 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine

3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine (PubChem CID 79016159) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
PubChem CID79016159
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-7-3-2-4-8(5-7)9(6-14)10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeyMCYVPLUPNPMIQZ-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 96707876
4,4,4-trifluoro-3-(3-methylphenyl)butanal
CID 115029435
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534396
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
(1S,3S)-3-amino-4,4,4-trifluoro-1-(3-methylphenyl)butan-1-ol
CID 171237190
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 70589172

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine (CID 79016159) is 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(CN)C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine?
The InChIKey is MCYVPLUPNPMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-3-2-4-8(5-7)9(6-14)10(11,12)13/h2-5,9H,6,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine?
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79016159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).