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

C19H26N2 — CID 105180056

IUPAC4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccccc1C)Cc1cccnc1
InChIInChI=1S/C19H26N2/c1-3-12-21-19(14-17-8-6-13-20-15-17)11-10-18-9-5-4-7-16(18)2/h4-9,13,15,19,21H,3,10-12,14H2,1-2H3
InChIKeyRFZGGJFNFYFUGI-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.93
Rot. Bonds8

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

4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine (PubChem CID 105180056) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
PubChem CID105180056
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
SMILESCCCNC(CCc1ccccc1C)Cc1cccnc1
InChIInChI=1S/C19H26N2/c1-3-12-21-19(14-17-8-6-13-20-15-17)11-10-18-9-5-4-7-16(18)2/h4-9,13,15,19,21H,3,10-12,14H2,1-2H3
InChIKeyRFZGGJFNFYFUGI-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine (CID 105180056) is 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine is CCCNC(CCc1ccccc1C)Cc1cccnc1.
What is the InChIKey of 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
The InChIKey is RFZGGJFNFYFUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-12-21-19(14-17-8-6-13-20-15-17)11-10-18-9-5-4-7-16(18)2/h4-9,13,15,19,21H,3,10-12,14H2,1-2H3.
What are the key properties of 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105180056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).