N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine

C15H22ClNO2 — CID 104819149

IUPACN-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1c(Cl)cccc1OC
InChIInChI=1S/C15H22ClNO2/c1-3-17-10-11-6-5-9-19-15(11)14-12(16)7-4-8-13(14)18-2/h4,7-8,11,15,17H,3,5-6,9-10H2,1-2H3
InChIKeyHGTPQRBOBANIFV-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.43
Rot. Bonds5

About N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine

N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine (PubChem CID 104819149) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
PubChem CID104819149
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1c(Cl)cccc1OC
InChIInChI=1S/C15H22ClNO2/c1-3-17-10-11-6-5-9-19-15(11)14-12(16)7-4-8-13(14)18-2/h4,7-8,11,15,17H,3,5-6,9-10H2,1-2H3
InChIKeyHGTPQRBOBANIFV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]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

N-[[2-(2,6-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365400
1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79364625
N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104819146
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
2-(2-chloro-6-methoxyphenyl)oxane-3-carboxylic acid
CID 104818912
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
CID 79365813
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115634821
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine (CID 104819149) is N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine is CCNCC1CCCOC1c1c(Cl)cccc1OC.
What is the InChIKey of N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is HGTPQRBOBANIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-17-10-11-6-5-9-19-15(11)14-12(16)7-4-8-13(14)18-2/h4,7-8,11,15,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine?
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).