4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine

C17H22N2 — CID 107876162

IUPAC4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
SMILESCc1ccncc1NCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H22N2/c1-13(2)16(15-7-5-4-6-8-15)11-19-17-12-18-10-9-14(17)3/h4-10,12-13,16,19H,11H2,1-3H3
InChIKeyVRBXYXRSBQQSMZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.24
Rot. Bonds5

About 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine

4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine (PubChem CID 107876162) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
PubChem CID107876162
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
SMILESCc1ccncc1NCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H22N2/c1-13(2)16(15-7-5-4-6-8-15)11-19-17-12-18-10-9-14(17)3/h4-10,12-13,16,19H,11H2,1-3H3
InChIKeyVRBXYXRSBQQSMZ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
4-methyl-N-(3-phenylbutyl)pyridin-3-amine
CID 55201696
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875814
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
3-bromo-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876494
2-ethoxy-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107875958
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
2-(2-methylanilino)-1-pyridin-3-ylethanol
CID 82040364
4-methyl-N-[phenyl(pyridin-2-yl)methyl]pyridin-3-amine
CID 63329354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine?
The IUPAC name of 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine (CID 107876162) is 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine?
The canonical SMILES for 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine is Cc1ccncc1NCC(c1ccccc1)C(C)C.
What is the InChIKey of 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine?
The InChIKey is VRBXYXRSBQQSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)16(15-7-5-4-6-8-15)11-19-17-12-18-10-9-14(17)3/h4-10,12-13,16,19H,11H2,1-3H3.
What are the key properties of 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine?
4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine has a molecular weight of 254.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine is sourced from PubChem (CID 107876162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).