2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine

C15H22ClNO — CID 79759747

IUPAC2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1Cl)C1CCOC1C
InChIInChI=1S/C15H22ClNO/c1-3-17-15(13-8-9-18-11(13)2)10-12-6-4-5-7-14(12)16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyHQQRERWKHJAPLJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.29
Rot. Bonds5

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

2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 79759747) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID79759747
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1Cl)C1CCOC1C
InChIInChI=1S/C15H22ClNO/c1-3-17-15(13-8-9-18-11(13)2)10-12-6-4-5-7-14(12)16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyHQQRERWKHJAPLJ-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-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
2-(2-chlorophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155941
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
[2-(2,6-dichlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105293114
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105035095
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991805
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine (CID 79759747) is 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine is CCNC(Cc1ccccc1Cl)C1CCOC1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is HQQRERWKHJAPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-17-15(13-8-9-18-11(13)2)10-12-6-4-5-7-14(12)16/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine?
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-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-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 79759747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).