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

C16H26N2O — CID 16643631

IUPAC2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CN2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-2-19-15-9-7-14(8-10-15)16(17)13-18-11-5-3-4-6-12-18/h7-10,16H,2-6,11-13,17H2,1H3
InChIKeyPHDSQSMAIPAAEZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds5

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

2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine (PubChem CID 16643631) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
PubChem CID16643631
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CN2CCCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-2-19-15-9-7-14(8-10-15)16(17)13-18-11-5-3-4-6-12-18/h7-10,16H,2-6,11-13,17H2,1H3
InChIKeyPHDSQSMAIPAAEZ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16787975
1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16793434
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 67430850
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine (CID 16643631) is 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is PHDSQSMAIPAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-19-15-9-7-14(8-10-15)16(17)13-18-11-5-3-4-6-12-18/h7-10,16H,2-6,11-13,17H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine?
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 5 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-ethoxyphenyl)ethanamine is sourced from PubChem (CID 16643631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).