N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine

C15H18N2 — CID 63157691

IUPACN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2/c1-3-16-10-13-5-4-6-14(9-13)15-8-7-12(2)17-11-15/h4-9,11,16H,3,10H2,1-2H3
InChIKeyRBEJYXQJINXESU-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.17
Rot. Bonds4

About N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine

N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine (PubChem CID 63157691) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
PubChem CID63157691
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(C)nc2)c1
InChIInChI=1S/C15H18N2/c1-3-16-10-13-5-4-6-14(9-13)15-8-7-12(2)17-11-15/h4-9,11,16H,3,10H2,1-2H3
InChIKeyRBEJYXQJINXESU-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 22391380
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[[3-(3-methyltriazol-4-yl)phenyl]methyl]ethanamine
CID 114689787
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]urea
CID 59708540
N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 54910186
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine (CID 63157691) is N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2ccc(C)nc2)c1.
What is the InChIKey of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
The InChIKey is RBEJYXQJINXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-16-10-13-5-4-6-14(9-13)15-8-7-12(2)17-11-15/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine?
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63157691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).