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

C14H19Cl2NO — CID 63045973

IUPAC2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C14H19Cl2NO/c1-2-17-14(11-5-6-18-9-11)8-10-3-4-12(15)13(16)7-10/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3
InChIKeyBDDDBSDENPPOBK-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.55
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 63045973) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID63045973
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C14H19Cl2NO/c1-2-17-14(11-5-6-18-9-11)8-10-3-4-12(15)13(16)7-10/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3
InChIKeyBDDDBSDENPPOBK-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276602
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
3-[1-bromo-2-(3,4-dichlorophenyl)ethyl]oxolane
CID 63045119
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 63045973) is 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is BDDDBSDENPPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-17-14(11-5-6-18-9-11)8-10-3-4-12(15)13(16)7-10/h3-4,7,11,14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 288.22 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 63045973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).