2-[(benzylamino)methyl]phenol chloride

C14H15ClNO- — CID 53350489

IUPAC2-[(benzylamino)methyl]phenol chloride
SMILESOc1ccccc1CNCc1ccccc1.[Cl-]
InChIInChI=1S/C14H15NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-9,15-16H,10-11H2;1H/p-1
InChIKeyDJBQZBKIXNAJCP-UHFFFAOYSA-M
MW248.73 g/mol
LogP-0.31
Rot. Bonds4

About 2-[(benzylamino)methyl]phenol chloride

2-[(benzylamino)methyl]phenol chloride (PubChem CID 53350489) has the molecular formula C14H15ClNO- and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]phenol chloride.

Molecular Properties

Compound Name2-[(benzylamino)methyl]phenol chloride
PubChem CID53350489
Molecular FormulaC14H15ClNO-
Molecular Weight248.73 g/mol
Exact Mass248.08
IUPAC Name2-[(benzylamino)methyl]phenol chloride
SMILESOc1ccccc1CNCc1ccccc1.[Cl-]
InChIInChI=1S/C14H15NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-9,15-16H,10-11H2;1H/p-1
InChIKeyDJBQZBKIXNAJCP-UHFFFAOYSA-M
XLogP-0.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
CID 115603020
2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
CID 107741111
2-(ethylaminomethyl)phenol
CID 12995218
N-benzylethanamine;tris(yttrium)
CID 158198357
2-[(benzylamino)methyl]-4-pyridin-3-ylphenol
CID 26341008
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
2-[(benzylamino)methyl]benzamide
CID 22341819

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methyl]phenol chloride?
The IUPAC name of 2-[(benzylamino)methyl]phenol chloride (CID 53350489) is 2-[(benzylamino)methyl]phenol chloride.
What is the SMILES notation for 2-[(benzylamino)methyl]phenol chloride?
The canonical SMILES for 2-[(benzylamino)methyl]phenol chloride is Oc1ccccc1CNCc1ccccc1.[Cl-].
What is the InChIKey of 2-[(benzylamino)methyl]phenol chloride?
The InChIKey is DJBQZBKIXNAJCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-9,15-16H,10-11H2;1H/p-1.
What are the key properties of 2-[(benzylamino)methyl]phenol chloride?
2-[(benzylamino)methyl]phenol chloride has a molecular weight of 248.73 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]phenol chloride is sourced from PubChem (CID 53350489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).