N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine

C14H20F3N — CID 112509139

IUPACN,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCNCCC(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H20F3N/c1-10(2)13(8-9-18-3)11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3
InChIKeyULJXELAEBXHYBS-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.05
Rot. Bonds5

About N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine

N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 112509139) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID112509139
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCNCCC(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H20F3N/c1-10(2)13(8-9-18-3)11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3
InChIKeyULJXELAEBXHYBS-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
CID 144748476
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
1-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 177016674
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63200596
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
(3R)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 57369117
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 159228228
N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 59614691

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine (CID 112509139) is N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine is CNCCC(c1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is ULJXELAEBXHYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)13(8-9-18-3)11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3.
What are the key properties of N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine?
N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 112509139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).