1-(3-methoxyphenyl)azepane

C13H19NO — CID 57276431

IUPAC1-(3-methoxyphenyl)azepane
SMILESCOc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-8-6-7-12(11-13)14-9-4-2-3-5-10-14/h6-8,11H,2-5,9-10H2,1H3
InChIKeyAPHVDGQJJSTSOD-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.08
Rot. Bonds2

About 1-(3-methoxyphenyl)azepane

1-(3-methoxyphenyl)azepane (PubChem CID 57276431) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)azepane.

Molecular Properties

Compound Name1-(3-methoxyphenyl)azepane
PubChem CID57276431
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-methoxyphenyl)azepane
SMILESCOc1cccc(N2CCCCCC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-8-6-7-12(11-13)14-9-4-2-3-5-10-14/h6-8,11H,2-5,9-10H2,1H3
InChIKeyAPHVDGQJJSTSOD-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-(4-methoxyphenyl)piperidine
CID 10130315
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
CID 174430054
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)azepane?
The IUPAC name of 1-(3-methoxyphenyl)azepane (CID 57276431) is 1-(3-methoxyphenyl)azepane.
What is the SMILES notation for 1-(3-methoxyphenyl)azepane?
The canonical SMILES for 1-(3-methoxyphenyl)azepane is COc1cccc(N2CCCCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)azepane?
The InChIKey is APHVDGQJJSTSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-8-6-7-12(11-13)14-9-4-2-3-5-10-14/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)azepane?
1-(3-methoxyphenyl)azepane has a molecular weight of 205.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)azepane is sourced from PubChem (CID 57276431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).