2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine

C17H28N2O — CID 61212628

IUPAC2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(CN)N2CCCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-14(2)20-16-9-7-8-15(12-16)17(13-18)19-10-5-3-4-6-11-19/h7-9,12,14,17H,3-6,10-11,13,18H2,1-2H3
InChIKeySHZHSXSNRQTWOB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds5

About 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine

2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 61212628) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID61212628
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(CN)N2CCCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-14(2)20-16-9-7-8-15(12-16)17(13-18)19-10-5-3-4-6-11-19/h7-9,12,14,17H,3-6,10-11,13,18H2,1-2H3
InChIKeySHZHSXSNRQTWOB-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61210753
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
CID 115526755
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
2-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanol
CID 61210767
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196
2-(3-ethoxyphenyl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419864
2-piperidin-1-yl-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
CID 102548964
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine (CID 61212628) is 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(CN)N2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SHZHSXSNRQTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)20-16-9-7-8-15(12-16)17(13-18)19-10-5-3-4-6-11-19/h7-9,12,14,17H,3-6,10-11,13,18H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine?
2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 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)-2-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 61212628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).