2-amino-3-[(2-chlorophenyl)methyl]phenol

C13H12ClNO — CID 105493756

IUPAC2-amino-3-[(2-chlorophenyl)methyl]phenol
SMILESNc1c(O)cccc1Cc1ccccc1Cl
InChIInChI=1S/C13H12ClNO/c14-11-6-2-1-4-9(11)8-10-5-3-7-12(16)13(10)15/h1-7,16H,8,15H2
InChIKeyUOFSLZKKDRDYMT-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.22
Rot. Bonds2

About 2-amino-3-[(2-chlorophenyl)methyl]phenol

2-amino-3-[(2-chlorophenyl)methyl]phenol (PubChem CID 105493756) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-amino-3-[(2-chlorophenyl)methyl]phenol.

Molecular Properties

Compound Name2-amino-3-[(2-chlorophenyl)methyl]phenol
PubChem CID105493756
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-amino-3-[(2-chlorophenyl)methyl]phenol
SMILESNc1c(O)cccc1Cc1ccccc1Cl
InChIInChI=1S/C13H12ClNO/c14-11-6-2-1-4-9(11)8-10-5-3-7-12(16)13(10)15/h1-7,16H,8,15H2
InChIKeyUOFSLZKKDRDYMT-UHFFFAOYSA-N
XLogP3.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(2-amino-3-hydroxyphenyl)methyl]phenol
CID 23106823
2-amino-3-chlorophenol
CID 19828962
2-chloro-6-[(2-hydroxyphenyl)methyl]phenol
CID 22151945
4-[(2-chlorophenyl)methyl]benzene-1,2-diol
CID 44634400
2-[(2-chlorophenyl)methyl]benzenecarbothioyl chloride
CID 141301153
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine
CID 98771509
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197
3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
CID 139758970
2-chloro-6-[(4,6-dichloro-2-methylpyrimidin-5-yl)methyl]aniline
CID 123166256
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-chlorophenyl)methyl]phenol?
The IUPAC name of 2-amino-3-[(2-chlorophenyl)methyl]phenol (CID 105493756) is 2-amino-3-[(2-chlorophenyl)methyl]phenol.
What is the SMILES notation for 2-amino-3-[(2-chlorophenyl)methyl]phenol?
The canonical SMILES for 2-amino-3-[(2-chlorophenyl)methyl]phenol is Nc1c(O)cccc1Cc1ccccc1Cl.
What is the InChIKey of 2-amino-3-[(2-chlorophenyl)methyl]phenol?
The InChIKey is UOFSLZKKDRDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-11-6-2-1-4-9(11)8-10-5-3-7-12(16)13(10)15/h1-7,16H,8,15H2.
What are the key properties of 2-amino-3-[(2-chlorophenyl)methyl]phenol?
2-amino-3-[(2-chlorophenyl)methyl]phenol has a molecular weight of 233.70 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-chlorophenyl)methyl]phenol is sourced from PubChem (CID 105493756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).