2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine

C12H16ClNO2 — CID 63559032

IUPAC2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESNCC(OC1CCOC1)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c13-10-3-1-2-9(6-10)12(7-14)16-11-4-5-15-8-11/h1-3,6,11-12H,4-5,7-8,14H2
InChIKeyFOCRLRNSDKSHCK-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine

2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63559032) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
PubChem CID63559032
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
SMILESNCC(OC1CCOC1)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c13-10-3-1-2-9(6-10)12(7-14)16-11-4-5-15-8-11/h1-3,6,11-12H,4-5,7-8,14H2
InChIKeyFOCRLRNSDKSHCK-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63558015
N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
CID 63556687
2-(3-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyethanamine
CID 114340592
2-(oxolan-3-yloxy)-2-pyridin-3-ylethanamine
CID 63558620
2-(4-chlorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102605646
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
CID 55019422
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 62995717
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
ethyl 3-(3-chlorophenyl)-3-cyclopentyloxypropanoate
CID 148697514

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine (CID 63559032) is 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine is NCC(OC1CCOC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
The InChIKey is FOCRLRNSDKSHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-10-3-1-2-9(6-10)12(7-14)16-11-4-5-15-8-11/h1-3,6,11-12H,4-5,7-8,14H2.
What are the key properties of 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine?
2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63559032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).