2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine

C15H22ClNO2 — CID 115844831

IUPAC2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1CCOC1C
InChIInChI=1S/C15H22ClNO2/c1-10-13(6-7-19-10)14(17-2)9-11-8-12(16)4-5-15(11)18-3/h4-5,8,10,13-14,17H,6-7,9H2,1-3H3
InChIKeyGNDHXTMPAQUBRQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.90
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 115844831) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID115844831
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1OC)C1CCOC1C
InChIInChI=1S/C15H22ClNO2/c1-10-13(6-7-19-10)14(17-2)9-11-8-12(16)4-5-15(11)18-3/h4-5,8,10,13-14,17H,6-7,9H2,1-3H3
InChIKeyGNDHXTMPAQUBRQ-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
1-(5-chlorofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 106691825

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine (CID 115844831) is 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine is CNC(Cc1cc(Cl)ccc1OC)C1CCOC1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is GNDHXTMPAQUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-13(6-7-19-10)14(17-2)9-11-8-12(16)4-5-15(11)18-3/h4-5,8,10,13-14,17H,6-7,9H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115844831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).