N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine

C13H14F3N — CID 115819277

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N/c1-3-4-5-12(17-2)10-6-8-11(9-7-10)13(14,15)16/h6-9,12,17H,5H2,1-2H3
InChIKeyMOWNTUUNRJQDHQ-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.38
Rot. Bonds3

About N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine

N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine (PubChem CID 115819277) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine
PubChem CID115819277
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine
SMILESCC#CCC(NC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N/c1-3-4-5-12(17-2)10-6-8-11(9-7-10)13(14,15)16/h6-9,12,17H,5H2,1-2H3
InChIKeyMOWNTUUNRJQDHQ-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-3-ynyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 116643484
1-(4-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107992287
1-(3-chloro-4-methylphenyl)-N-methylpent-3-yn-1-amine
CID 115820022
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylpent-3-yn-1-amine
CID 115819252
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115841423
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
(3S)-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 124509787
1-(4-bromophenyl)pent-3-ynylhydrazine
CID 105192351

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine (CID 115819277) is N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine is CC#CCC(NC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine?
The InChIKey is MOWNTUUNRJQDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-3-4-5-12(17-2)10-6-8-11(9-7-10)13(14,15)16/h6-9,12,17H,5H2,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine?
N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine has a molecular weight of 241.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]pent-3-yn-1-amine is sourced from PubChem (CID 115819277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).