2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine

C14H20ClNO2 — CID 62564827

IUPAC2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
SMILESClc1ccccc1COCCNCC1CCOC1
InChIInChI=1S/C14H20ClNO2/c15-14-4-2-1-3-13(14)11-18-8-6-16-9-12-5-7-17-10-12/h1-4,12,16H,5-11H2
InChIKeySOJPOTQZQQBGMS-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.48
Rot. Bonds7

About 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine

2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62564827) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62564827
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
SMILESClc1ccccc1COCCNCC1CCOC1
InChIInChI=1S/C14H20ClNO2/c15-14-4-2-1-3-13(14)11-18-8-6-16-9-12-5-7-17-10-12/h1-4,12,16H,5-11H2
InChIKeySOJPOTQZQQBGMS-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 82825971
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
2-[(2-chlorophenyl)methoxy]-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
CID 51098791
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43193588
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine (CID 62564827) is 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine is Clc1ccccc1COCCNCC1CCOC1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is SOJPOTQZQQBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-14-4-2-1-3-13(14)11-18-8-6-16-9-12-5-7-17-10-12/h1-4,12,16H,5-11H2.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 269.77 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62564827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).