1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C17H22N2 — CID 82731760

IUPAC1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2/c1-4-16-6-5-7-19-17(16)12-18-11-15-9-13(2)8-14(3)10-15/h5-10,18H,4,11-12H2,1-3H3
InChIKeyMVJGWKIMDMDSNE-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.55
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 82731760) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID82731760
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2/c1-4-16-6-5-7-19-17(16)12-18-11-15-9-13(2)8-14(3)10-15/h5-10,18H,4,11-12H2,1-3H3
InChIKeyMVJGWKIMDMDSNE-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102881002
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
CID 82738010
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-5-fluorobenzonitrile
CID 82738847
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731707
N-[(3-ethyl-2-pyridinyl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 82732206
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 82731760) is 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is MVJGWKIMDMDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-16-6-5-7-19-17(16)12-18-11-15-9-13(2)8-14(3)10-15/h5-10,18H,4,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82731760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).