2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine

C15H24N2O2 — CID 55152004

IUPAC2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-19-14-6-4-13(5-7-14)15(12-16)17-8-3-10-18-11-9-17/h4-7,15H,2-3,8-12,16H2,1H3
InChIKeyABFZMPNTQCGJEX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds5

About 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine

2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine (PubChem CID 55152004) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
PubChem CID55152004
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCCOCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-19-14-6-4-13(5-7-14)15(12-16)17-8-3-10-18-11-9-17/h4-7,15H,2-3,8-12,16H2,1H3
InChIKeyABFZMPNTQCGJEX-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
CID 43592587
2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)ethanamine
CID 16642933
(2R)-2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 30114876
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
CID 16642854
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
2-(5-ethylthiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55154271
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61224408
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine (CID 55152004) is 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine is CCOc1ccc(C(CN)N2CCCOCC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
The InChIKey is ABFZMPNTQCGJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-14-6-4-13(5-7-14)15(12-16)17-8-3-10-18-11-9-17/h4-7,15H,2-3,8-12,16H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 55152004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).