6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine

C16H21N3 — CID 102170253

IUPAC6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1cccc(-c2cc(C)ccc2N)n1
InChIInChI=1S/C16H21N3/c1-4-19(5-2)16-8-6-7-15(18-16)13-11-12(3)9-10-14(13)17/h6-11H,4-5,17H2,1-3H3
InChIKeyQODQIVMPFAKFAF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.49
Rot. Bonds4

About 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine

6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine (PubChem CID 102170253) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine
PubChem CID102170253
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1cccc(-c2cc(C)ccc2N)n1
InChIInChI=1S/C16H21N3/c1-4-19(5-2)16-8-6-7-15(18-16)13-11-12(3)9-10-14(13)17/h6-11H,4-5,17H2,1-3H3
InChIKeyQODQIVMPFAKFAF-UHFFFAOYSA-N
XLogP3.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[6-[6-(diethylamino)-2-pyridinyl]-2-pyridinyl]-N,N-diethylpyridin-2-amine
CID 102213436
6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 15766444
2-N,2-N-diethylquinoline-2,8-diamine
CID 105469074
6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
CID 82471042
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
6-(diethylamino)pyridine-2-carbothioamide
CID 64587426
4-methyl-2-(2H-triazol-4-yl)aniline;thiocarbonyl dichloride
CID 123872953

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine?
The IUPAC name of 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine (CID 102170253) is 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine.
What is the SMILES notation for 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine?
The canonical SMILES for 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine is CCN(CC)c1cccc(-c2cc(C)ccc2N)n1.
What is the InChIKey of 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine?
The InChIKey is QODQIVMPFAKFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-19(5-2)16-8-6-7-15(18-16)13-11-12(3)9-10-14(13)17/h6-11H,4-5,17H2,1-3H3.
What are the key properties of 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine?
6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methylphenyl)-N,N-diethylpyridin-2-amine is sourced from PubChem (CID 102170253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).