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

C14H20ClNO — CID 103987271

IUPAC1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-2-16-14(9-11-7-8-17-10-11)12-3-5-13(15)6-4-12/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeyFMAKDXLZZUJSQW-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.42
Rot. Bonds5

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

1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (PubChem CID 103987271) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
PubChem CID103987271
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-2-16-14(9-11-7-8-17-10-11)12-3-5-13(15)6-4-12/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeyFMAKDXLZZUJSQW-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
CID 103987406
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987161
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
[2-(oxolan-3-yl)-1-(4-propylphenyl)ethyl]hydrazine
CID 105265959
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847063
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 114856904
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (CID 103987271) is 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is CCNC(CC1CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is FMAKDXLZZUJSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16-14(9-11-7-8-17-10-11)12-3-5-13(15)6-4-12/h3-6,11,14,16H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.42, 5 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-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103987271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).