N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine

C17H22N2 — CID 82732936

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCCc1cccnc1CNC(C)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-4-15-6-5-11-18-17(15)12-19-14(3)16-9-7-13(2)8-10-16/h5-11,14,19H,4,12H2,1-3H3
InChIKeyMRWITICVAKKWKT-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.80
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 82732936) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID82732936
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCCc1cccnc1CNC(C)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-4-15-6-5-11-18-17(15)12-19-14(3)16-9-7-13(2)8-10-16/h5-11,14,19H,4,12H2,1-3H3
InChIKeyMRWITICVAKKWKT-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
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
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 82733612
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732745
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine (CID 82732936) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine is CCc1cccnc1CNC(C)c1ccc(C)cc1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is MRWITICVAKKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-15-6-5-11-18-17(15)12-19-14(3)16-9-7-13(2)8-10-16/h5-11,14,19H,4,12H2,1-3H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.80, 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]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 82732936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).