2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine

C13H17Cl2NO — CID 65459079

IUPAC2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C13H17Cl2NO/c14-11-6-10(4-5-16)13(12(15)7-11)17-8-9-2-1-3-9/h6-7,9H,1-5,8,16H2
InChIKeyNLAFZKSPBSFVID-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.67
Rot. Bonds5

About 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine (PubChem CID 65459079) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
PubChem CID65459079
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C13H17Cl2NO/c14-11-6-10(4-5-16)13(12(15)7-11)17-8-9-2-1-3-9/h6-7,9H,1-5,8,16H2
InChIKeyNLAFZKSPBSFVID-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]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

2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-dichlorophenyl]ethanamine
CID 66394290
2-[3,5-dichloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182988
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]oxane
CID 62385711
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine (CID 65459079) is 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCC1CCC1.
What is the InChIKey of 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine?
The InChIKey is NLAFZKSPBSFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-6-10(4-5-16)13(12(15)7-11)17-8-9-2-1-3-9/h6-7,9H,1-5,8,16H2.
What are the key properties of 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 65459079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).