2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine

C13H18ClNO — CID 115784678

IUPAC2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCC1CCOC1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9-6-7-16-13(9)12(15)8-10-2-4-11(14)5-3-10/h2-5,9,12-13H,6-8,15H2,1H3
InChIKeyRQDBZWUCQAVDIZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine

2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 115784678) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID115784678
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCC1CCOC1C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9-6-7-16-13(9)12(15)8-10-2-4-11(14)5-3-10/h2-5,9,12-13H,6-8,15H2,1H3
InChIKeyRQDBZWUCQAVDIZ-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115841332
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666279
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104987899
2-(1-ethylimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105009551
3-ethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105028497
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105085210
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 115850240
2-cyclohexyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115842269
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine (CID 115784678) is 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine is CC1CCOC1C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is RQDBZWUCQAVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-6-7-16-13(9)12(15)8-10-2-4-11(14)5-3-10/h2-5,9,12-13H,6-8,15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine?
2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115784678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).