ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine

C12H18F3N — CID 156724875

IUPACethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
SMILESCC.Cc1cccc(C(N)CC(F)(F)F)c1
InChIInChI=1S/C10H12F3N.C2H6/c1-7-3-2-4-8(5-7)9(14)6-10(11,12)13;1-2/h2-5,9H,6,14H2,1H3;1-2H3
InChIKeyZWZYINOLWVDEBX-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.97
Rot. Bonds2

About ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine

ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine (PubChem CID 156724875) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
PubChem CID156724875
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nameethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
SMILESCC.Cc1cccc(C(N)CC(F)(F)F)c1
InChIInChI=1S/C10H12F3N.C2H6/c1-7-3-2-4-8(5-7)9(14)6-10(11,12)13;1-2/h2-5,9H,6,14H2,1H3;1-2H3
InChIKeyZWZYINOLWVDEBX-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
3,3,3-trifluoro-1-(3-methylphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311689
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
methyl 3-[(1S)-1-amino-3,3,3-trifluoropropyl]benzoate;hydrochloride
CID 171233377

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine?
The IUPAC name of ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine (CID 156724875) is ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine?
The canonical SMILES for ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine is CC.Cc1cccc(C(N)CC(F)(F)F)c1.
What is the InChIKey of ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine?
The InChIKey is ZWZYINOLWVDEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C2H6/c1-7-3-2-4-8(5-7)9(14)6-10(11,12)13;1-2/h2-5,9H,6,14H2,1H3;1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine?
ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine has a molecular weight of 233.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 156724875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).