5-(aminomethyl)-4-chloro-2-phenylphenol

C13H12ClNO — CID 174901362

IUPAC5-(aminomethyl)-4-chloro-2-phenylphenol
SMILESNCc1cc(O)c(-c2ccccc2)cc1Cl
InChIInChI=1S/C13H12ClNO/c14-12-7-11(9-4-2-1-3-5-9)13(16)6-10(12)8-15/h1-7,16H,8,15H2
InChIKeyFAKZIIKEJDNKEP-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.17
Rot. Bonds2

About 5-(aminomethyl)-4-chloro-2-phenylphenol

5-(aminomethyl)-4-chloro-2-phenylphenol (PubChem CID 174901362) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(aminomethyl)-4-chloro-2-phenylphenol.

Molecular Properties

Compound Name5-(aminomethyl)-4-chloro-2-phenylphenol
PubChem CID174901362
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name5-(aminomethyl)-4-chloro-2-phenylphenol
SMILESNCc1cc(O)c(-c2ccccc2)cc1Cl
InChIInChI=1S/C13H12ClNO/c14-12-7-11(9-4-2-1-3-5-9)13(16)6-10(12)8-15/h1-7,16H,8,15H2
InChIKeyFAKZIIKEJDNKEP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)-4-chlorophenyl]phenol
CID 115039900
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
1,2,4-trichloro-5-phenylbenzene
CID 27514
ethane;(2-phenylphenyl)methanamine
CID 142592948
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883
(3,4-diphenylphenyl)methanamine
CID 174401792
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898
1,1'-biphenyl;2-chlorophenol
CID 174555563
2-(aminomethyl)phenol;methane
CID 158060419
3-(aminomethyl)-4-phenylbenzenesulfonamide
CID 143636472
chlorobenzene;2-phenylphenol
CID 161060319

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-chloro-2-phenylphenol?
The IUPAC name of 5-(aminomethyl)-4-chloro-2-phenylphenol (CID 174901362) is 5-(aminomethyl)-4-chloro-2-phenylphenol.
What is the SMILES notation for 5-(aminomethyl)-4-chloro-2-phenylphenol?
The canonical SMILES for 5-(aminomethyl)-4-chloro-2-phenylphenol is NCc1cc(O)c(-c2ccccc2)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-4-chloro-2-phenylphenol?
The InChIKey is FAKZIIKEJDNKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-7-11(9-4-2-1-3-5-9)13(16)6-10(12)8-15/h1-7,16H,8,15H2.
What are the key properties of 5-(aminomethyl)-4-chloro-2-phenylphenol?
5-(aminomethyl)-4-chloro-2-phenylphenol has a molecular weight of 233.70 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-chloro-2-phenylphenol is sourced from PubChem (CID 174901362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).