2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine

C16H24ClNO2 — CID 62106135

IUPAC2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-2-18-11-16(13-6-8-14(17)9-7-13)20-12-15-5-3-4-10-19-15/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyLUMPXLRITBQZGR-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.58
Rot. Bonds7

About 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine

2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine (PubChem CID 62106135) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
PubChem CID62106135
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-2-18-11-16(13-6-8-14(17)9-7-13)20-12-15-5-3-4-10-19-15/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyLUMPXLRITBQZGR-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772676
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine (CID 62106135) is 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine is CCNCC(OCC1CCCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine?
The InChIKey is LUMPXLRITBQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-18-11-16(13-6-8-14(17)9-7-13)20-12-15-5-3-4-10-19-15/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine?
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 62106135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).