N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine

C17H22N2 — CID 64990106

IUPACN-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(Cc1cccnc1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H22N2/c1-12-8-14(3)16(9-13(12)2)17(18-4)10-15-6-5-7-19-11-15/h5-9,11,17-18H,10H2,1-4H3
InChIKeyYYLRRVKGHQPNEB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.51
Rot. Bonds4

About N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine

N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 64990106) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID64990106
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(Cc1cccnc1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H22N2/c1-12-8-14(3)16(9-13(12)2)17(18-4)10-15-6-5-7-19-11-15/h5-9,11,17-18H,10H2,1-4H3
InChIKeyYYLRRVKGHQPNEB-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549906
1-(5-chloro-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034593
1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 65313099
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
CID 65104741
N-methyl-1-naphthalen-2-yl-2-pyridin-3-ylethanamine
CID 62791095
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985
N-methyl-2-pyridin-3-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 104736641

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine (CID 64990106) is N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine is CNC(Cc1cccnc1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is YYLRRVKGHQPNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-8-14(3)16(9-13(12)2)17(18-4)10-15-6-5-7-19-11-15/h5-9,11,17-18H,10H2,1-4H3.
What are the key properties of N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine?
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 64990106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).