2-[2-(3-methylphenyl)ethyl]azepane

C15H23N — CID 62544067

IUPAC2-[2-(3-methylphenyl)ethyl]azepane
SMILESCc1cccc(CCC2CCCCCN2)c1
InChIInChI=1S/C15H23N/c1-13-6-5-7-14(12-13)9-10-15-8-3-2-4-11-16-15/h5-7,12,15-16H,2-4,8-11H2,1H3
InChIKeyAYQVRJWWNGMIPI-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.46
Rot. Bonds3

About 2-[2-(3-methylphenyl)ethyl]azepane

2-[2-(3-methylphenyl)ethyl]azepane (PubChem CID 62544067) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethyl]azepane.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethyl]azepane
PubChem CID62544067
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-[2-(3-methylphenyl)ethyl]azepane
SMILESCc1cccc(CCC2CCCCCN2)c1
InChIInChI=1S/C15H23N/c1-13-6-5-7-14(12-13)9-10-15-8-3-2-4-11-16-15/h5-7,12,15-16H,2-4,8-11H2,1H3
InChIKeyAYQVRJWWNGMIPI-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211204
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
2-[2-(3-nitrophenyl)ethyl]pyrrolidine
CID 104703830
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethyl]azepane?
The IUPAC name of 2-[2-(3-methylphenyl)ethyl]azepane (CID 62544067) is 2-[2-(3-methylphenyl)ethyl]azepane.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethyl]azepane?
The canonical SMILES for 2-[2-(3-methylphenyl)ethyl]azepane is Cc1cccc(CCC2CCCCCN2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethyl]azepane?
The InChIKey is AYQVRJWWNGMIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13-6-5-7-14(12-13)9-10-15-8-3-2-4-11-16-15/h5-7,12,15-16H,2-4,8-11H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)ethyl]azepane?
2-[2-(3-methylphenyl)ethyl]azepane has a molecular weight of 217.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethyl]azepane is sourced from PubChem (CID 62544067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).