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

C16H24ClNO — CID 106866575

IUPAC2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)C1CCCCO1
InChIInChI=1S/C16H24ClNO/c1-3-18-15(16-6-4-5-9-19-16)11-13-8-7-12(2)10-14(13)17/h7-8,10,15-16,18H,3-6,9,11H2,1-2H3
InChIKeyBHDPNVPFILCMMW-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.74
Rot. Bonds5

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

2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (PubChem CID 106866575) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
PubChem CID106866575
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1Cl)C1CCCCO1
InChIInChI=1S/C16H24ClNO/c1-3-18-15(16-6-4-5-9-19-16)11-13-8-7-12(2)10-14(13)17/h7-8,10,15-16,18H,3-6,9,11H2,1-2H3
InChIKeyBHDPNVPFILCMMW-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-4-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 106868654
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 106866357
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothian-2-yl)-N-ethylethanamine
CID 106866668
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (CID 106866575) is 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is CCNC(Cc1ccc(C)cc1Cl)C1CCCCO1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The InChIKey is BHDPNVPFILCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-15(16-6-4-5-9-19-16)11-13-8-7-12(2)10-14(13)17/h7-8,10,15-16,18H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 106866575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).