1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine

C19H26N2 — CID 60896080

IUPAC1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCc2cccnc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)13-17-6-8-19(9-7-17)16(3)21-12-10-18-5-4-11-20-14-18/h4-9,11,14-16,21H,10,12-13H2,1-3H3
InChIKeyGPJQFFJGALRPRN-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.17
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine

1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 60896080) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID60896080
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCc2cccnc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)13-17-6-8-19(9-7-17)16(3)21-12-10-18-5-4-11-20-14-18/h4-9,11,14-16,21H,10,12-13H2,1-3H3
InChIKeyGPJQFFJGALRPRN-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
2-[4-[1-(2-pyridin-3-ylethylamino)ethyl]phenoxy]acetonitrile
CID 60913069
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
1-(1,3-benzodioxol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896071
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60971301
N-(2-pyridin-3-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 60913402
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine (CID 60896080) is 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine is CC(C)Cc1ccc(C(C)NCCc2cccnc2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is GPJQFFJGALRPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)13-17-6-8-19(9-7-17)16(3)21-12-10-18-5-4-11-20-14-18/h4-9,11,14-16,21H,10,12-13H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 60896080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).