1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane

C19H24N2 — CID 112826237

IUPAC1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
SMILESCc1ccccc1CN1CCCCCC1c1ccncc1
InChIInChI=1S/C19H24N2/c1-16-7-4-5-8-18(16)15-21-14-6-2-3-9-19(21)17-10-12-20-13-11-17/h4-5,7-8,10-13,19H,2-3,6,9,14-15H2,1H3
InChIKeyUUFSJRZUIAISSE-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.51
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane

1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane (PubChem CID 112826237) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
PubChem CID112826237
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane
SMILESCc1ccccc1CN1CCCCCC1c1ccncc1
InChIInChI=1S/C19H24N2/c1-16-7-4-5-8-18(16)15-21-14-6-2-3-9-19(21)17-10-12-20-13-11-17/h4-5,7-8,10-13,19H,2-3,6,9,14-15H2,1H3
InChIKeyUUFSJRZUIAISSE-UHFFFAOYSA-N
XLogP4.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-2-pyridin-4-ylazepane
CID 112826234
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
1-ethyl-2-phenylazepane
CID 59678181
2-[(2-methylphenyl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyridine
CID 124960780
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016
2-imidazol-1-yl-6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 110258092
2-imidazol-1-yl-6-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95826941
1-[(3-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylazepane
CID 120897267
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575610
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane (CID 112826237) is 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane is Cc1ccccc1CN1CCCCCC1c1ccncc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane?
The InChIKey is UUFSJRZUIAISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-7-4-5-8-18(16)15-21-14-6-2-3-9-19(21)17-10-12-20-13-11-17/h4-5,7-8,10-13,19H,2-3,6,9,14-15H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane?
1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane has a molecular weight of 280.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-pyridin-4-ylazepane is sourced from PubChem (CID 112826237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).