2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol

C13H20ClNO2 — CID 82300217

IUPAC2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
SMILESCOc1cc(C)c(C(O)C(N)C(C)C)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-7(2)12(15)13(16)9-6-10(14)11(17-4)5-8(9)3/h5-7,12-13,16H,15H2,1-4H3
InChIKeyCJOVBVMYXPNQEN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol

2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol (PubChem CID 82300217) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
PubChem CID82300217
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
SMILESCOc1cc(C)c(C(O)C(N)C(C)C)cc1Cl
InChIInChI=1S/C13H20ClNO2/c1-7(2)12(15)13(16)9-6-10(14)11(17-4)5-8(9)3/h5-7,12-13,16H,15H2,1-4H3
InChIKeyCJOVBVMYXPNQEN-UHFFFAOYSA-N
XLogP2.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol 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-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
CID 82291991
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol (CID 82300217) is 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol is COc1cc(C)c(C(O)C(N)C(C)C)cc1Cl.
What is the InChIKey of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is CJOVBVMYXPNQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-7(2)12(15)13(16)9-6-10(14)11(17-4)5-8(9)3/h5-7,12-13,16H,15H2,1-4H3.
What are the key properties of 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol?
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82300217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).