3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

C15H22F3N — CID 60819147

IUPAC3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(CC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10-11,14,19H,4,8-9H2,1-3H3
InChIKeySHUUNDVPFCADHO-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.79
Rot. Bonds6

About 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine

3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 60819147) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID60819147
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCCNC(CC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10-11,14,19H,4,8-9H2,1-3H3
InChIKeySHUUNDVPFCADHO-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-methylpropylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64610296
N-[2-butan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64612803
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N-[2-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64611916
3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102753611
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 60819147) is 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is CCCNC(CC(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is SHUUNDVPFCADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-8-19-14(9-11(2)3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10-11,14,19H,4,8-9H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 60819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).