1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine

C14H20ClNO2 — CID 112608637

IUPAC1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCC1CCCCO1
InChIInChI=1S/C14H20ClNO2/c1-16-9-11-5-4-7-13(15)14(11)18-10-12-6-2-3-8-17-12/h4-5,7,12,16H,2-3,6,8-10H2,1H3
InChIKeyHZOUZSDHFKAITC-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 112608637) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID112608637
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCC1CCCCO1
InChIInChI=1S/C14H20ClNO2/c1-16-9-11-5-4-7-13(15)14(11)18-10-12-6-2-3-8-17-12/h4-5,7,12,16H,2-3,6,8-10H2,1H3
InChIKeyHZOUZSDHFKAITC-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine 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-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954695
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
CID 106777267
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
N-[[3-bromo-2-(oxan-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058877
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156828
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 112608637) is 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCC1CCCCO1.
What is the InChIKey of 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is HZOUZSDHFKAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-9-11-5-4-7-13(15)14(11)18-10-12-6-2-3-8-17-12/h4-5,7,12,16H,2-3,6,8-10H2,1H3.
What are the key properties of 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).