2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine

C14H20F3N — CID 61468668

IUPAC2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
SMILESCCC(NCc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H20F3N/c1-4-13(10(2)3)18-9-11-5-7-12(8-6-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyIIQMLVBCQYHQBK-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.23
Rot. Bonds5

About 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine

2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine (PubChem CID 61468668) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
PubChem CID61468668
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
SMILESCCC(NCc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H20F3N/c1-4-13(10(2)3)18-9-11-5-7-12(8-6-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyIIQMLVBCQYHQBK-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009971
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
4,4,4-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 103776427
(2R)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 93056728
4-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 83188266
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 65315346
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine (CID 61468668) is 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine is CCC(NCc1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine?
The InChIKey is IIQMLVBCQYHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-4-13(10(2)3)18-9-11-5-7-12(8-6-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine?
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine has a molecular weight of 259.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine is sourced from PubChem (CID 61468668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).