[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol

C16H18ClNO — CID 62121892

IUPAC[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-12-8-14(11-19)6-7-16(12)18(2)10-13-4-3-5-15(17)9-13/h3-9,19H,10-11H2,1-2H3
InChIKeyDJQMQFUHWMQAFC-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.78
Rot. Bonds4

About [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol

[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol (PubChem CID 62121892) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
PubChem CID62121892
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-12-8-14(11-19)6-7-16(12)18(2)10-13-4-3-5-15(17)9-13/h3-9,19H,10-11H2,1-2H3
InChIKeyDJQMQFUHWMQAFC-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 81151392
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
3-bromo-4-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 82800905
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
(1S)-1-[3-chloro-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939961
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929799
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036947
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol?
The IUPAC name of [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol (CID 62121892) is [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol?
The canonical SMILES for [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol is Cc1cc(CO)ccc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol?
The InChIKey is DJQMQFUHWMQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-8-14(11-19)6-7-16(12)18(2)10-13-4-3-5-15(17)9-13/h3-9,19H,10-11H2,1-2H3.
What are the key properties of [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol?
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol has a molecular weight of 275.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol is sourced from PubChem (CID 62121892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).