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

C15H22ClNO — CID 63015076

IUPAC2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)C1CCCOC1
InChIInChI=1S/C15H22ClNO/c1-2-17-15(13-4-3-9-18-11-13)10-12-5-7-14(16)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyJDODQYQFHYFHOW-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.29
Rot. Bonds5

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

2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine (PubChem CID 63015076) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
PubChem CID63015076
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)C1CCCOC1
InChIInChI=1S/C15H22ClNO/c1-2-17-15(13-4-3-9-18-11-13)10-12-5-7-14(16)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyJDODQYQFHYFHOW-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
3-[1-bromo-2-(4-chlorophenyl)ethyl]oxane
CID 63015468
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 79709136
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136522
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276602
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine (CID 63015076) is 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine is CCNC(Cc1ccc(Cl)cc1)C1CCCOC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
The InChIKey is JDODQYQFHYFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-17-15(13-4-3-9-18-11-13)10-12-5-7-14(16)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine?
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 63015076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).