4-(2-amino-2-methylpropyl)-2-chlorophenol

C10H14ClNO — CID 12826919

IUPAC4-(2-amino-2-methylpropyl)-2-chlorophenol
SMILESCC(C)(N)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-10(2,12)6-7-3-4-9(13)8(11)5-7/h3-5,13H,6,12H2,1-2H3
InChIKeyCWHQROZRJYYKOX-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.33
Rot. Bonds2

About 4-(2-amino-2-methylpropyl)-2-chlorophenol

4-(2-amino-2-methylpropyl)-2-chlorophenol (PubChem CID 12826919) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-2-chlorophenol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-2-chlorophenol
PubChem CID12826919
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-(2-amino-2-methylpropyl)-2-chlorophenol
SMILESCC(C)(N)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-10(2,12)6-7-3-4-9(13)8(11)5-7/h3-5,13H,6,12H2,1-2H3
InChIKeyCWHQROZRJYYKOX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-amino-2-methylpropyl)-2-chlorophenol 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

[1-(3-chloro-4-hydroxyphenyl)-2-methylpropan-2-yl]carbamic acid
CID 91405796
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147
2-chloro-4-[(2,4,5-trichloroanilino)methyl]phenol
CID 63419363
2-chloro-4-[(2-cyclopropylpropan-2-ylamino)methyl]phenol
CID 103700269
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
CID 150655549
2-(3-chloro-4-hydroxyphenyl)ethyl acetate
CID 139884995
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 67724920
2-[(3-chloro-4-hydroxyphenyl)methylamino]-2-methylpentanoic acid
CID 65055884
4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
CID 139601186

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-2-chlorophenol?
The IUPAC name of 4-(2-amino-2-methylpropyl)-2-chlorophenol (CID 12826919) is 4-(2-amino-2-methylpropyl)-2-chlorophenol.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-2-chlorophenol?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-2-chlorophenol is CC(C)(N)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-2-chlorophenol?
The InChIKey is CWHQROZRJYYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(2,12)6-7-3-4-9(13)8(11)5-7/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-2-chlorophenol?
4-(2-amino-2-methylpropyl)-2-chlorophenol has a molecular weight of 199.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-2-chlorophenol is sourced from PubChem (CID 12826919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).