N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C16H17F3N2 — CID 102708017

IUPACN-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-2-9-21-15(12-6-4-3-5-7-12)13-11-20-10-8-14(13)16(17,18)19/h3-8,10-11,15,21H,2,9H2,1H3
InChIKeyVXKHABCVPGENLT-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.19
Rot. Bonds5

About N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 102708017) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID102708017
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-2-9-21-15(12-6-4-3-5-7-12)13-11-20-10-8-14(13)16(17,18)19/h3-8,10-11,15,21H,2,9H2,1H3
InChIKeyVXKHABCVPGENLT-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 106858910
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708411
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[2-propan-2-yloxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102709978
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 102708017) is N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CCCNC(c1ccccc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is VXKHABCVPGENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-2-9-21-15(12-6-4-3-5-7-12)13-11-20-10-8-14(13)16(17,18)19/h3-8,10-11,15,21H,2,9H2,1H3.
What are the key properties of N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 294.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 102708017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).