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

C17H28N2O — CID 65070030

IUPACN-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
SMILESCCOc1ccc(C(C)NC2CCCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-20-17-9-7-15(8-10-17)14(2)18-16-6-5-12-19(3)13-11-16/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyRROVSXGAJAPXNB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds5

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

N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine (PubChem CID 65070030) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
PubChem CID65070030
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
SMILESCCOc1ccc(C(C)NC2CCCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-4-20-17-9-7-15(8-10-17)14(2)18-16-6-5-12-19(3)13-11-16/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyRROVSXGAJAPXNB-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
CID 86793716
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine (CID 65070030) is N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine is CCOc1ccc(C(C)NC2CCCN(C)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine?
The InChIKey is RROVSXGAJAPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17-9-7-15(8-10-17)14(2)18-16-6-5-12-19(3)13-11-16/h7-10,14,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine?
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 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]-1-methylazepan-4-amine is sourced from PubChem (CID 65070030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).