2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine

C17H28N2O — CID 16785820

IUPAC2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2CCCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-2-13-20-16-9-7-15(8-10-16)17(18)14-19-11-5-3-4-6-12-19/h7-10,17H,2-6,11-14,18H2,1H3
InChIKeyZSIIVJMEDFYEOC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds6

About 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine

2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 16785820) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID16785820
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CN2CCCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-2-13-20-16-9-7-15(8-10-16)17(18)14-19-11-5-3-4-6-12-19/h7-10,17H,2-6,11-14,18H2,1H3
InChIKeyZSIIVJMEDFYEOC-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-amino-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62489955
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine (CID 16785820) is 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is ZSIIVJMEDFYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-13-20-16-9-7-15(8-10-16)17(18)14-19-11-5-3-4-6-12-19/h7-10,17H,2-6,11-14,18H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine?
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 16785820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).