N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine

C16H26N2O2 — CID 65070278

IUPACN-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
SMILESCCOc1cc(NC2CCCN(C)CC2)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-20-16-12-14(7-8-15(16)19-3)17-13-6-5-10-18(2)11-9-13/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyVNOKWGPIEYBCJZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.99
Rot. Bonds5

About N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine

N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine (PubChem CID 65070278) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
PubChem CID65070278
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
SMILESCCOc1cc(NC2CCCN(C)CC2)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-20-16-12-14(7-8-15(16)19-3)17-13-6-5-10-18(2)11-9-13/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyVNOKWGPIEYBCJZ-UHFFFAOYSA-N
XLogP2.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-diethoxyphenyl)-1-methylazepan-4-amine
CID 65071088
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
N-[2-methoxy-4-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43672947
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
1-(1,3-benzothiazol-2-ylmethyl)-N-(3-ethoxy-4-methoxyphenyl)piperidin-4-amine
CID 46882447
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine (CID 65070278) is N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine is CCOc1cc(NC2CCCN(C)CC2)ccc1OC.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine?
The InChIKey is VNOKWGPIEYBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-16-12-14(7-8-15(16)19-3)17-13-6-5-10-18(2)11-9-13/h7-8,12-13,17H,4-6,9-11H2,1-3H3.
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine?
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine is sourced from PubChem (CID 65070278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).