1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

C16H24ClNO — CID 107102229

IUPAC1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cccc(Cl)c1C
InChIInChI=1S/C16H24ClNO/c1-3-18-16(11-13-7-9-19-10-8-13)14-5-4-6-15(17)12(14)2/h4-6,13,16,18H,3,7-11H2,1-2H3
InChIKeyGSYWADVADDJMLT-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.12
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 107102229) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID107102229
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cccc(Cl)c1C
InChIInChI=1S/C16H24ClNO/c1-3-18-16(11-13-7-9-19-10-8-13)14-5-4-6-15(17)12(14)2/h4-6,13,16,18H,3,7-11H2,1-2H3
InChIKeyGSYWADVADDJMLT-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
1-(3-chloro-2-methylphenyl)-N-ethylbut-3-en-1-amine
CID 107102109
1-(2,3-dimethylphenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105140728
[1-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298897
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 107102229) is 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is GSYWADVADDJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-16(11-13-7-9-19-10-8-13)14-5-4-6-15(17)12(14)2/h4-6,13,16,18H,3,7-11H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 107102229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).