4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride

C14H16ClNO — CID 135326536

IUPAC4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride
SMILESCNCc1ccc(-c2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C14H15NO.ClH/c1-15-10-11-2-4-12(5-3-11)13-6-8-14(16)9-7-13;/h2-9,15-16H,10H2,1H3;1H
InChIKeySSXVRRJKTJHCCX-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.20
Rot. Bonds3

About 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride

4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride (PubChem CID 135326536) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride
PubChem CID135326536
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride
SMILESCNCc1ccc(-c2ccc(O)cc2)cc1.Cl
InChIInChI=1S/C14H15NO.ClH/c1-15-10-11-2-4-12(5-3-11)13-6-8-14(16)9-7-13;/h2-9,15-16H,10H2,1H3;1H
InChIKeySSXVRRJKTJHCCX-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
ethane;N-methyl-1-(4-methylphenyl)methanamine;propane
CID 168988049
4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(methylaminomethyl)benzene-1,2-diol
CID 14515287
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride?
The IUPAC name of 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride (CID 135326536) is 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride.
What is the SMILES notation for 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride?
The canonical SMILES for 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride is CNCc1ccc(-c2ccc(O)cc2)cc1.Cl.
What is the InChIKey of 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride?
The InChIKey is SSXVRRJKTJHCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c1-15-10-11-2-4-12(5-3-11)13-6-8-14(16)9-7-13;/h2-9,15-16H,10H2,1H3;1H.
What are the key properties of 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride?
4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride is sourced from PubChem (CID 135326536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).