3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine

C16H17F3N2 — CID 115900299

IUPAC3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
SMILESCc1ccncc1CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H17F3N2/c1-12-7-8-20-10-14(12)11-21-15(9-16(17,18)19)13-5-3-2-4-6-13/h2-8,10,15,21H,9,11H2,1H3
InChIKeyHRLHJFWXWBXNBF-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.17
Rot. Bonds5

About 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine

3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine (PubChem CID 115900299) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
PubChem CID115900299
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
SMILESCc1ccncc1CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H17F3N2/c1-12-7-8-20-10-14(12)11-21-15(9-16(17,18)19)13-5-3-2-4-6-13/h2-8,10,15,21H,9,11H2,1H3
InChIKeyHRLHJFWXWBXNBF-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-[(4,5-dimethylthiophen-2-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 65246588
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895245
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine (CID 115900299) is 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine is Cc1ccncc1CNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is HRLHJFWXWBXNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-12-7-8-20-10-14(12)11-21-15(9-16(17,18)19)13-5-3-2-4-6-13/h2-8,10,15,21H,9,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine?
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 294.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 115900299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).