2-(aminomethyl)-4-chloro-6-propan-2-ylphenol

C10H14ClNO — CID 82265863

IUPAC2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(CN)c1O
InChIInChI=1S/C10H14ClNO/c1-6(2)9-4-8(11)3-7(5-12)10(9)13/h3-4,6,13H,5,12H2,1-2H3
InChIKeyRUEQOXZCIUBMMI-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.63
Rot. Bonds2

About 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol

2-(aminomethyl)-4-chloro-6-propan-2-ylphenol (PubChem CID 82265863) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
PubChem CID82265863
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(CN)c1O
InChIInChI=1S/C10H14ClNO/c1-6(2)9-4-8(11)3-7(5-12)10(9)13/h3-4,6,13H,5,12H2,1-2H3
InChIKeyRUEQOXZCIUBMMI-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol 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

4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol
CID 117307336
2-amino-3-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)propanoic acid
CID 117397830
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136
2-chloro-1-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)ethanone
CID 82265856
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
2,4-bis[2-(aminomethyl)-5-chlorophenyl]pentan-3-one
CID 151068715
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol?
The IUPAC name of 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol (CID 82265863) is 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol?
The canonical SMILES for 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol is CC(C)c1cc(Cl)cc(CN)c1O.
What is the InChIKey of 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol?
The InChIKey is RUEQOXZCIUBMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6(2)9-4-8(11)3-7(5-12)10(9)13/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol?
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-6-propan-2-ylphenol is sourced from PubChem (CID 82265863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).