[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine

C15H24N2O2 — CID 62987404

IUPAC[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
SMILESCC1CN(CCOc2ccccc2CN)CCCO1
InChIInChI=1S/C15H24N2O2/c1-13-12-17(7-4-9-18-13)8-10-19-15-6-3-2-5-14(15)11-16/h2-3,5-6,13H,4,7-12,16H2,1H3
InChIKeyHIBSYLXATHLYLQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds5

About [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine

[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine (PubChem CID 62987404) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
PubChem CID62987404
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
SMILESCC1CN(CCOc2ccccc2CN)CCCO1
InChIInChI=1S/C15H24N2O2/c1-13-12-17(7-4-9-18-13)8-10-19-15-6-3-2-5-14(15)11-16/h2-3,5-6,13H,4,7-12,16H2,1H3
InChIKeyHIBSYLXATHLYLQ-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
(2S)-2-methyl-4-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,4-oxazepane
CID 99945435
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62988696
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882
2-[2-(2-methylmorpholin-4-yl)ethoxy]benzohydrazide
CID 63569013
2-[3-(2-methylmorpholin-4-yl)propoxy]benzonitrile
CID 43288613
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
[2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413216

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine (CID 62987404) is [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine is CC1CN(CCOc2ccccc2CN)CCCO1.
What is the InChIKey of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine?
The InChIKey is HIBSYLXATHLYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-12-17(7-4-9-18-13)8-10-19-15-6-3-2-5-14(15)11-16/h2-3,5-6,13H,4,7-12,16H2,1H3.
What are the key properties of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine?
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62987404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).