N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine

C15H23NO2 — CID 102849048

IUPACN-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
SMILESCOCCc1ccccc1NC1CCCOCC1
InChIInChI=1S/C15H23NO2/c1-17-11-8-13-5-2-3-7-15(13)16-14-6-4-10-18-12-9-14/h2-3,5,7,14,16H,4,6,8-12H2,1H3
InChIKeyYLZGJGRYDVNPMA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine

N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine (PubChem CID 102849048) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
PubChem CID102849048
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
SMILESCOCCc1ccccc1NC1CCCOCC1
InChIInChI=1S/C15H23NO2/c1-17-11-8-13-5-2-3-7-15(13)16-14-6-4-10-18-12-9-14/h2-3,5,7,14,16H,4,6,8-12H2,1H3
InChIKeyYLZGJGRYDVNPMA-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852
1-N-[2-(2-methoxyethyl)phenyl]cyclohexane-1,3-diamine
CID 102903718
2-[2-(oxepan-4-ylamino)phenyl]acetamide
CID 65082099
2-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 102848912
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903864
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
2-methyl-N-(oxepan-4-yl)pyridin-3-amine
CID 79042531
2-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 102903890
5-chloro-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 102848942

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine (CID 102849048) is N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine is COCCc1ccccc1NC1CCCOCC1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine?
The InChIKey is YLZGJGRYDVNPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-11-8-13-5-2-3-7-15(13)16-14-6-4-10-18-12-9-14/h2-3,5,7,14,16H,4,6,8-12H2,1H3.
What are the key properties of N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine?
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine is sourced from PubChem (CID 102849048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).