2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline

C17H22N2 — CID 139459217

IUPAC2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
SMILESCc1cccc(C(C)C)c1NC(C)c1ccccn1
InChIInChI=1S/C17H22N2/c1-12(2)15-9-7-8-13(3)17(15)19-14(4)16-10-5-6-11-18-16/h5-12,14,19H,1-4H3
InChIKeyOGBLTCKFAVKUFE-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.69
Rot. Bonds4

About 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline

2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 139459217) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
PubChem CID139459217
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
SMILESCc1cccc(C(C)C)c1NC(C)c1ccccn1
InChIInChI=1S/C17H22N2/c1-12(2)15-9-7-8-13(3)17(15)19-14(4)16-10-5-6-11-18-16/h5-12,14,19H,1-4H3
InChIKeyOGBLTCKFAVKUFE-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
1-methyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 62132755
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
1,4-dimethyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562229
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline (CID 139459217) is 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline is Cc1cccc(C(C)C)c1NC(C)c1ccccn1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is OGBLTCKFAVKUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12(2)15-9-7-8-13(3)17(15)19-14(4)16-10-5-6-11-18-16/h5-12,14,19H,1-4H3.
What are the key properties of 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline?
2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 254.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 139459217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).