N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride

C13H21Cl2NO — CID 17156923

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCCOc1ccc(CNC(C)(C)C)cc1Cl.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-5-16-12-7-6-10(8-11(12)14)9-15-13(2,3)4;/h6-8,15H,5,9H2,1-4H3;1H
InChIKeyOJNUIZQTGZLSNJ-UHFFFAOYSA-N
MW278.22 g/mol
LogP4.05
Rot. Bonds4

About N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 17156923) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID17156923
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCCOc1ccc(CNC(C)(C)C)cc1Cl.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-5-16-12-7-6-10(8-11(12)14)9-15-13(2,3)4;/h6-8,15H,5,9H2,1-4H3;1H
InChIKeyOJNUIZQTGZLSNJ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride 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-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17158461
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
N-[[3-chloro-4-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 66044236
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768355
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55147973
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-ethylacetamide
CID 63056680
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 17158567
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
3-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902473

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride (CID 17156923) is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride is CCOc1ccc(CNC(C)(C)C)cc1Cl.Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is OJNUIZQTGZLSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO.ClH/c1-5-16-12-7-6-10(8-11(12)14)9-15-13(2,3)4;/h6-8,15H,5,9H2,1-4H3;1H.
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 278.22 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 17156923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).