1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

C16H20N2 — CID 78950275

IUPAC1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cccnc2)c1
InChIInChI=1S/C16H20N2/c1-12-7-13(2)9-16(8-12)14(3)18-11-15-5-4-6-17-10-15/h4-10,14,18H,11H2,1-3H3
InChIKeyOJKWDNTXHRJRJX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 78950275) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID78950275
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cccnc2)c1
InChIInChI=1S/C16H20N2/c1-12-7-13(2)9-16(8-12)14(3)18-11-15-5-4-6-17-10-15/h4-10,14,18H,11H2,1-3H3
InChIKeyOJKWDNTXHRJRJX-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
2-(pyridin-3-ylmethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314932
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 78950275) is 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is Cc1cc(C)cc(C(C)NCc2cccnc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is OJKWDNTXHRJRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-7-13(2)9-16(8-12)14(3)18-11-15-5-4-6-17-10-15/h4-10,14,18H,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.55, 4 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-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 78950275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).