N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine

C16H25NO2 — CID 65081646

IUPACN-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
SMILESCCOc1ccc(C(C)NC2CCCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-19-16-8-6-14(7-9-16)13(2)17-15-5-4-11-18-12-10-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3
InChIKeyPIBHECDBOKQGDT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine

N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine (PubChem CID 65081646) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
PubChem CID65081646
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
SMILESCCOc1ccc(C(C)NC2CCCOCC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-19-16-8-6-14(7-9-16)13(2)17-15-5-4-11-18-12-10-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3
InChIKeyPIBHECDBOKQGDT-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
4-[1-(4-ethoxyphenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748803
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine (CID 65081646) is N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine is CCOc1ccc(C(C)NC2CCCOCC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine?
The InChIKey is PIBHECDBOKQGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-16-8-6-14(7-9-16)13(2)17-15-5-4-11-18-12-10-15/h6-9,13,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine?
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine is sourced from PubChem (CID 65081646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).