N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine

C16H21N3 — CID 61076742

IUPACN-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CN)c1ccccn1
InChIInChI=1S/C16H21N3/c1-3-19(14-8-6-7-13(2)11-14)16(12-17)15-9-4-5-10-18-15/h4-11,16H,3,12,17H2,1-2H3
InChIKeySGULUOHGPNTJRM-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine

N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine (PubChem CID 61076742) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
PubChem CID61076742
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CN)c1ccccn1
InChIInChI=1S/C16H21N3/c1-3-19(14-8-6-7-13(2)11-14)16(12-17)15-9-4-5-10-18-15/h4-11,16H,3,12,17H2,1-2H3
InChIKeySGULUOHGPNTJRM-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 61076579
1-(2,6-difluorophenyl)-N-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 61077098
N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 114991327
N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62347355
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol
CID 104551342
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine (CID 61076742) is N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine is CCN(c1cccc(C)c1)C(CN)c1ccccn1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The InChIKey is SGULUOHGPNTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19(14-8-6-7-13(2)11-14)16(12-17)15-9-4-5-10-18-15/h4-11,16H,3,12,17H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 61076742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).