[(4-chlorophenyl)methyl-methylamino]methanol

C9H12ClNO — CID 115229095

IUPAC[(4-chlorophenyl)methyl-methylamino]methanol
SMILESCN(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-11(7-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyAOYPILUUWOLHHW-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.72
Rot. Bonds3

About [(4-chlorophenyl)methyl-methylamino]methanol

[(4-chlorophenyl)methyl-methylamino]methanol (PubChem CID 115229095) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is [(4-chlorophenyl)methyl-methylamino]methanol.

Molecular Properties

Compound Name[(4-chlorophenyl)methyl-methylamino]methanol
PubChem CID115229095
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name[(4-chlorophenyl)methyl-methylamino]methanol
SMILESCN(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-11(7-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6-7H2,1H3
InChIKeyAOYPILUUWOLHHW-UHFFFAOYSA-N
XLogP1.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[methyl-[(4-phenylphenyl)methyl]amino]methanol
CID 115229134
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021
4-[(4-chlorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 66453591
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)methyl-methylamino]methanol?
The IUPAC name of [(4-chlorophenyl)methyl-methylamino]methanol (CID 115229095) is [(4-chlorophenyl)methyl-methylamino]methanol.
What is the SMILES notation for [(4-chlorophenyl)methyl-methylamino]methanol?
The canonical SMILES for [(4-chlorophenyl)methyl-methylamino]methanol is CN(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)methyl-methylamino]methanol?
The InChIKey is AOYPILUUWOLHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11(7-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6-7H2,1H3.
What are the key properties of [(4-chlorophenyl)methyl-methylamino]methanol?
[(4-chlorophenyl)methyl-methylamino]methanol has a molecular weight of 185.65 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)methyl-methylamino]methanol is sourced from PubChem (CID 115229095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).