[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine

C14H13F3N2 — CID 102708695

IUPAC[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2/c1-9-6-10(7-18)2-3-11(9)12-8-19-5-4-13(12)14(15,16)17/h2-6,8H,7,18H2,1H3
InChIKeyOTDZIEUOGNCMSA-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.53
Rot. Bonds2

About [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine

[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine (PubChem CID 102708695) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
PubChem CID102708695
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
SMILESCc1cc(CN)ccc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2/c1-9-6-10(7-18)2-3-11(9)12-8-19-5-4-13(12)14(15,16)17/h2-6,8H,7,18H2,1H3
InChIKeyOTDZIEUOGNCMSA-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708717
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751
[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 71144633
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645
3-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168913034
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
CID 102708661
[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
CID 102755639
[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 155419142
[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
CID 102708645
N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
CID 102708697
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617
[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The IUPAC name of [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine (CID 102708695) is [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The canonical SMILES for [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine is Cc1cc(CN)ccc1-c1cnccc1C(F)(F)F.
What is the InChIKey of [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The InChIKey is OTDZIEUOGNCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-9-6-10(7-18)2-3-11(9)12-8-19-5-4-13(12)14(15,16)17/h2-6,8H,7,18H2,1H3.
What are the key properties of [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine has a molecular weight of 266.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine is sourced from PubChem (CID 102708695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).