N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine

C16H24F3N — CID 63944741

IUPACN-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-4-6-7-15(5-2)20-12(3)13-8-10-14(11-9-13)16(17,18)19/h8-12,15,20H,4-7H2,1-3H3
InChIKeyOMUNBAUVDLFQEJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.32
Rot. Bonds7

About N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine

N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine (PubChem CID 63944741) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
PubChem CID63944741
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine
SMILESCCCCC(CC)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-4-6-7-15(5-2)20-12(3)13-8-10-14(11-9-13)16(17,18)19/h8-12,15,20H,4-7H2,1-3H3
InChIKeyOMUNBAUVDLFQEJ-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]ethylamino]butan-1-ol
CID 43207200
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
N-heptan-3-yl-4-(trifluoromethyl)aniline
CID 63947289
[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]heptan-2-amine
CID 43572679
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine (CID 63944741) is N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine is CCCCC(CC)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine?
The InChIKey is OMUNBAUVDLFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-6-7-15(5-2)20-12(3)13-8-10-14(11-9-13)16(17,18)19/h8-12,15,20H,4-7H2,1-3H3.
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine?
N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine has a molecular weight of 287.37 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]ethyl]heptan-3-amine is sourced from PubChem (CID 63944741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).