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

C16H24ClNO — CID 106857381

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(C)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-3-18-16(11-13-6-8-19-9-7-13)14-5-4-12(2)10-15(14)17/h4-5,10,13,16,18H,3,6-9,11H2,1-2H3
InChIKeyPDIOEGUTTCLTFQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.12
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 106857381) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID106857381
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(C)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-3-18-16(11-13-6-8-19-9-7-13)14-5-4-12(2)10-15(14)17/h4-5,10,13,16,18H,3,6-9,11H2,1-2H3
InChIKeyPDIOEGUTTCLTFQ-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-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846928
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106858183
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 106857381) is 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is PDIOEGUTTCLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-16(11-13-6-8-19-9-7-13)14-5-4-12(2)10-15(14)17/h4-5,10,13,16,18H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2-chloro-4-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-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 106857381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).