4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine

C15H22F3N — CID 55186996

IUPAC4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H22F3N/c1-4-9-19-13(8-5-10(2)3)11-6-7-12(16)15(18)14(11)17/h6-7,10,13,19H,4-5,8-9H2,1-3H3
InChIKeyAJNXKWYJBBGYEU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.58
Rot. Bonds7

About 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine

4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (PubChem CID 55186996) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
PubChem CID55186996
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H22F3N/c1-4-9-19-13(8-5-10(2)3)11-6-7-12(16)15(18)14(11)17/h6-7,10,13,19H,4-5,8-9H2,1-3H3
InChIKeyAJNXKWYJBBGYEU-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
1-(2-bromo-3,4-difluorophenyl)-N-propylbutan-1-amine
CID 107539429
N-[2-cyclopentyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 115847145
3-(oxolan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 115855107
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
N-[2-cyclopentylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 65140573

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine (CID 55186996) is 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is CCCNC(CCC(C)C)c1ccc(F)c(F)c1F.
What is the InChIKey of 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
The InChIKey is AJNXKWYJBBGYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-9-19-13(8-5-10(2)3)11-6-7-12(16)15(18)14(11)17/h6-7,10,13,19H,4-5,8-9H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine?
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine is sourced from PubChem (CID 55186996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).