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

C15H24N2O — CID 81322728

IUPAC[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
SMILESCC1CN(CCc2ccccc2CN)CCCO1
InChIInChI=1S/C15H24N2O/c1-13-12-17(8-4-10-18-13)9-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,13H,4,7-12,16H2,1H3
InChIKeyHPONCBVPSKBRBU-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.80
Rot. Bonds4

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

[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine (PubChem CID 81322728) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
PubChem CID81322728
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
SMILESCC1CN(CCc2ccccc2CN)CCCO1
InChIInChI=1S/C15H24N2O/c1-13-12-17(8-4-10-18-13)9-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,13H,4,7-12,16H2,1H3
InChIKeyHPONCBVPSKBRBU-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
CID 62987404
[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine (CID 81322728) is [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine is CC1CN(CCc2ccccc2CN)CCCO1.
What is the InChIKey of [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine?
The InChIKey is HPONCBVPSKBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-12-17(8-4-10-18-13)9-7-14-5-2-3-6-15(14)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)ethyl]phenyl]methanamine?
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 81322728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).