2-[(4-methoxyphenyl)methyl]-1-methylazepane

C15H23NO — CID 70599140

IUPAC2-[(4-methoxyphenyl)methyl]-1-methylazepane
SMILESCOc1ccc(CC2CCCCCN2C)cc1
InChIInChI=1S/C15H23NO/c1-16-11-5-3-4-6-14(16)12-13-7-9-15(17-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyVVXHLYXYUVFWEW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.11
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1-methylazepane

2-[(4-methoxyphenyl)methyl]-1-methylazepane (PubChem CID 70599140) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-methylazepane.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-methylazepane
PubChem CID70599140
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-methylazepane
SMILESCOc1ccc(CC2CCCCCN2C)cc1
InChIInChI=1S/C15H23NO/c1-16-11-5-3-4-6-14(16)12-13-7-9-15(17-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyVVXHLYXYUVFWEW-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
(2R)-2-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrrolidine
CID 143472093
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 12923050
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
(1S)-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CID 40561868
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
ethane;(2S)-2-[(4-methoxyphenyl)methoxy]-1-methylpyrrolidine
CID 143473469

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-methylazepane?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-methylazepane (CID 70599140) is 2-[(4-methoxyphenyl)methyl]-1-methylazepane.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-methylazepane?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-methylazepane is COc1ccc(CC2CCCCCN2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-methylazepane?
The InChIKey is VVXHLYXYUVFWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-11-5-3-4-6-14(16)12-13-7-9-15(17-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-methylazepane?
2-[(4-methoxyphenyl)methyl]-1-methylazepane has a molecular weight of 233.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-methylazepane is sourced from PubChem (CID 70599140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).