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

C16H24ClNO — CID 62601125

IUPAC1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)CC1CCOCC1
InChIInChI=1S/C16H24ClNO/c1-2-18-16(12-14-7-9-19-10-8-14)11-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyIQPPOPJBXYRDRY-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds6

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

1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 62601125) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
PubChem CID62601125
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)CC1CCOCC1
InChIInChI=1S/C16H24ClNO/c1-2-18-16(12-14-7-9-19-10-8-14)11-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyIQPPOPJBXYRDRY-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
2-[(4-chlorophenyl)methyl]-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62515572
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 115846981
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 105138600
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine (CID 62601125) is 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine is CCNC(Cc1ccc(Cl)cc1)CC1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is IQPPOPJBXYRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-18-16(12-14-7-9-19-10-8-14)11-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine?
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 62601125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).