1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

C15H21Cl2NO — CID 115846928

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-2-18-14(10-11-6-8-19-9-7-11)12-4-3-5-13(16)15(12)17/h3-5,11,14,18H,2,6-10H2,1H3
InChIKeyXLESHNMPELZEFF-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.46
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 115846928) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID115846928
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2NO/c1-2-18-14(10-11-6-8-19-9-7-11)12-4-3-5-13(16)15(12)17/h3-5,11,14,18H,2,6-10H2,1H3
InChIKeyXLESHNMPELZEFF-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107102229
1-(2,3-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546660
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-(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-(2-chloro-3-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298897
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
2-(2,3-dichlorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 107308697
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 105003608
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 115846928) is 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is XLESHNMPELZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-18-14(10-11-6-8-19-9-7-11)12-4-3-5-13(16)15(12)17/h3-5,11,14,18H,2,6-10H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 302.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).