2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline

C15H24N2O2 — CID 62987901

IUPAC2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
SMILESCC1CN(CCCOc2ccccc2N)CCCO1
InChIInChI=1S/C15H24N2O2/c1-13-12-17(8-4-10-18-13)9-5-11-19-15-7-3-2-6-14(15)16/h2-3,6-7,13H,4-5,8-12,16H2,1H3
InChIKeyQOOMGNAMJIQXOT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds5

About 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline

2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline (PubChem CID 62987901) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
PubChem CID62987901
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
SMILESCC1CN(CCCOc2ccccc2N)CCCO1
InChIInChI=1S/C15H24N2O2/c1-13-12-17(8-4-10-18-13)9-5-11-19-15-7-3-2-6-14(15)16/h2-3,6-7,13H,4-5,8-12,16H2,1H3
InChIKeyQOOMGNAMJIQXOT-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62988696
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethoxy]phenyl]methanamine
CID 62987404
(2S)-2-methyl-4-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,4-oxazepane
CID 99945435
2-[3-(2-methylmorpholin-4-yl)propoxy]benzonitrile
CID 43288613
2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline?
The IUPAC name of 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline (CID 62987901) is 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline.
What is the SMILES notation for 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline?
The canonical SMILES for 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline is CC1CN(CCCOc2ccccc2N)CCCO1.
What is the InChIKey of 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline?
The InChIKey is QOOMGNAMJIQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-12-17(8-4-10-18-13)9-5-11-19-15-7-3-2-6-14(15)16/h2-3,6-7,13H,4-5,8-12,16H2,1H3.
What are the key properties of 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline?
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline is sourced from PubChem (CID 62987901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).