N-(4-ethoxyphenyl)oxepan-4-amine

C14H21NO2 — CID 65076928

IUPACN-(4-ethoxyphenyl)oxepan-4-amine
SMILESCCOc1ccc(NC2CCCOCC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-17-14-7-5-13(6-8-14)15-12-4-3-10-16-11-9-12/h5-8,12,15H,2-4,9-11H2,1H3
InChIKeyKDQJKVIWDMJUQO-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.07
Rot. Bonds4

About N-(4-ethoxyphenyl)oxepan-4-amine

N-(4-ethoxyphenyl)oxepan-4-amine (PubChem CID 65076928) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)oxepan-4-amine
PubChem CID65076928
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-ethoxyphenyl)oxepan-4-amine
SMILESCCOc1ccc(NC2CCCOCC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-17-14-7-5-13(6-8-14)15-12-4-3-10-16-11-9-12/h5-8,12,15H,2-4,9-11H2,1H3
InChIKeyKDQJKVIWDMJUQO-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
N-(4-ethoxy-3-fluorophenyl)oxepan-4-amine
CID 115919016
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
N-(4-ethoxyphenyl)thian-4-amine
CID 43394937
2-[4-(oxan-4-ylamino)phenoxy]acetonitrile
CID 43608499
N-(4-pentylphenyl)oxepan-4-amine
CID 65076671
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)oxepan-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)oxepan-4-amine (CID 65076928) is N-(4-ethoxyphenyl)oxepan-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)oxepan-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)oxepan-4-amine is CCOc1ccc(NC2CCCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)oxepan-4-amine?
The InChIKey is KDQJKVIWDMJUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14-7-5-13(6-8-14)15-12-4-3-10-16-11-9-12/h5-8,12,15H,2-4,9-11H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)oxepan-4-amine?
N-(4-ethoxyphenyl)oxepan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)oxepan-4-amine is sourced from PubChem (CID 65076928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).