N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine

C12H15ClF3N — CID 55175519

IUPACN-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC(NCCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClF3N/c1-2-11(17-8-7-12(14,15)16)9-3-5-10(13)6-4-9/h3-6,11,17H,2,7-8H2,1H3
InChIKeyLLRRQVJFEWNOKK-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.33
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine

N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 55175519) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
PubChem CID55175519
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC NameN-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC(NCCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClF3N/c1-2-11(17-8-7-12(14,15)16)9-3-5-10(13)6-4-9/h3-6,11,17H,2,7-8H2,1H3
InChIKeyLLRRQVJFEWNOKK-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
N-[1-(4-chlorophenyl)propyl]pent-3-yn-1-amine
CID 104758049
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
1-(4-chlorophenyl)-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 113246417
5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460
N-[1-(4-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040410
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine (CID 55175519) is N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine is CCC(NCCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is LLRRQVJFEWNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-2-11(17-8-7-12(14,15)16)9-3-5-10(13)6-4-9/h3-6,11,17H,2,7-8H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 265.71 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 55175519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).