N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine

C16H17F3N2 — CID 82737451

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
SMILESCCc1cccnc1CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-2-12-9-6-10-20-14(12)11-21-15(16(17,18)19)13-7-4-3-5-8-13/h3-10,15,21H,2,11H2,1H3
InChIKeyQMNFUNALIMCIPA-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.04
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine

N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine (PubChem CID 82737451) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
PubChem CID82737451
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
SMILESCCc1cccnc1CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H17F3N2/c1-2-12-9-6-10-20-14(12)11-21-15(16(17,18)19)13-7-4-3-5-8-13/h3-10,15,21H,2,11H2,1H3
InChIKeyQMNFUNALIMCIPA-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
CID 82736524
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994436
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
CID 82732422
2,3-diethylpyridine
CID 14747123
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 82733459
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 82732360
1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
CID 82739404

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine (CID 82737451) is N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine is CCc1cccnc1CNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
The InChIKey is QMNFUNALIMCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-2-12-9-6-10-20-14(12)11-21-15(16(17,18)19)13-7-4-3-5-8-13/h3-10,15,21H,2,11H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine has a molecular weight of 294.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine is sourced from PubChem (CID 82737451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).