4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine

C16H20N2 — CID 62367106

IUPAC4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
SMILESCc1cccc(CCC(N)Cc2ccccn2)c1
InChIInChI=1S/C16H20N2/c1-13-5-4-6-14(11-13)8-9-15(17)12-16-7-2-3-10-18-16/h2-7,10-11,15H,8-9,12,17H2,1H3
InChIKeyGSVJLINSFXWJHH-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.89
Rot. Bonds5

About 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine

4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine (PubChem CID 62367106) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
PubChem CID62367106
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
SMILESCc1cccc(CCC(N)Cc2ccccn2)c1
InChIInChI=1S/C16H20N2/c1-13-5-4-6-14(11-13)8-9-15(17)12-16-7-2-3-10-18-16/h2-7,10-11,15H,8-9,12,17H2,1H3
InChIKeyGSVJLINSFXWJHH-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
CID 105177799
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
4-amino-5-pyridin-2-ylpentan-1-ol
CID 175131878
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine (CID 62367106) is 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine is Cc1cccc(CCC(N)Cc2ccccn2)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine?
The InChIKey is GSVJLINSFXWJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-5-4-6-14(11-13)8-9-15(17)12-16-7-2-3-10-18-16/h2-7,10-11,15H,8-9,12,17H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine?
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 62367106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).