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

C17H22N2 — CID 66447930

IUPAC1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
SMILESCc1ccccc1CCC(N)C(C)c1ccncc1
InChIInChI=1S/C17H22N2/c1-13-5-3-4-6-15(13)7-8-17(18)14(2)16-9-11-19-12-10-16/h3-6,9-12,14,17H,7-8,18H2,1-2H3
InChIKeyWRNSBWDZFYLIBV-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.45
Rot. Bonds5

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

1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine (PubChem CID 66447930) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
PubChem CID66447930
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
SMILESCc1ccccc1CCC(N)C(C)c1ccncc1
InChIInChI=1S/C17H22N2/c1-13-5-3-4-6-15(13)7-8-17(18)14(2)16-9-11-19-12-10-16/h3-6,9-12,14,17H,7-8,18H2,1-2H3
InChIKeyWRNSBWDZFYLIBV-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-chloro-5-(2-methylphenyl)pentan-2-yl]pyridine
CID 66460372
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
1-[(2-methylphenyl)methylsulfanyl]-1-pyridin-4-ylpropan-2-amine
CID 55113260
2-pyridin-4-yldecan-3-amine
CID 66445976
[4-(2-methylphenyl)-1-pyridin-4-ylbutan-2-yl]hydrazine
CID 105317453
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
3-phenyl-1-pyridin-4-ylbutan-2-amine
CID 114029119
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
4-(2-methylphenyl)butan-2-ylhydrazine
CID 105282545

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine?
The IUPAC name of 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine (CID 66447930) is 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine.
What is the SMILES notation for 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine?
The canonical SMILES for 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine is Cc1ccccc1CCC(N)C(C)c1ccncc1.
What is the InChIKey of 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine?
The InChIKey is WRNSBWDZFYLIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-5-3-4-6-15(13)7-8-17(18)14(2)16-9-11-19-12-10-16/h3-6,9-12,14,17H,7-8,18H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine?
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine has a molecular weight of 254.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine is sourced from PubChem (CID 66447930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).