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

C14H20ClNO — CID 62503594

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C14H20ClNO/c1-2-16-14(12-6-7-17-10-12)9-11-4-3-5-13(15)8-11/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3
InChIKeyYXQLGWPMRRWAIL-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds5

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

2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 62503594) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID62503594
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C14H20ClNO/c1-2-16-14(12-6-7-17-10-12)9-11-4-3-5-13(15)8-11/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3
InChIKeyYXQLGWPMRRWAIL-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
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-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 64776038
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
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-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
3-(3-chlorophenyl)-2-(oxolan-3-yl)propanoic acid
CID 79419047

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 62503594) is 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(Cc1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is YXQLGWPMRRWAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16-14(12-6-7-17-10-12)9-11-4-3-5-13(15)8-11/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 62503594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).