[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol

C16H18ClNO — CID 81151392

IUPAC[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
SMILESCc1ccccc1CN(C)c1ccc(CO)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-12-5-3-4-6-14(12)10-18(2)16-8-7-13(11-19)9-15(16)17/h3-9,19H,10-11H2,1-2H3
InChIKeyYEUFKWHOZJTAAN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.78
Rot. Bonds4

About [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol

[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol (PubChem CID 81151392) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
PubChem CID81151392
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
SMILESCc1ccccc1CN(C)c1ccc(CO)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-12-5-3-4-6-14(12)10-18(2)16-8-7-13(11-19)9-15(16)17/h3-9,19H,10-11H2,1-2H3
InChIKeyYEUFKWHOZJTAAN-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

[2-[methyl-[(2-methylphenyl)methyl]amino]-4-pyridinyl]methanol
CID 61411894
[3-chloro-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]methanol
CID 81152345
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 106529738
[5-chloro-2-[(2-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845316
[2-[(2-chlorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 61417390
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
3-[2-chloro-4-(hydroxymethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916419
3-chloro-4-[(2-chlorophenyl)methyl-methylamino]benzoic acid
CID 63514701
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 62289541
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
The IUPAC name of [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol (CID 81151392) is [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol is Cc1ccccc1CN(C)c1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
The InChIKey is YEUFKWHOZJTAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-5-3-4-6-14(12)10-18(2)16-8-7-13(11-19)9-15(16)17/h3-9,19H,10-11H2,1-2H3.
What are the key properties of [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]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 [3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 81151392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).