[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol

C16H18ClNO2 — CID 83962472

IUPAC[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol
SMILESCOc1cc(NCc2ccccc2C)c(Cl)cc1CO
InChIInChI=1S/C16H18ClNO2/c1-11-5-3-4-6-12(11)9-18-15-8-16(20-2)13(10-19)7-14(15)17/h3-8,18-19H,9-10H2,1-2H3
InChIKeyQRFSTMPFHCKVHK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.76
Rot. Bonds5

About [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol

[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol (PubChem CID 83962472) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol
PubChem CID83962472
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol
SMILESCOc1cc(NCc2ccccc2C)c(Cl)cc1CO
InChIInChI=1S/C16H18ClNO2/c1-11-5-3-4-6-12(11)9-18-15-8-16(20-2)13(10-19)7-14(15)17/h3-8,18-19H,9-10H2,1-2H3
InChIKeyQRFSTMPFHCKVHK-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
N-[2-chloro-4-(hydroxymethyl)-5-methoxyphenyl]acetamide
CID 162343437
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43229655
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2,5-dichloroaniline
CID 66543273
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol?
The IUPAC name of [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol (CID 83962472) is [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol is COc1cc(NCc2ccccc2C)c(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol?
The InChIKey is QRFSTMPFHCKVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-5-3-4-6-12(11)9-18-15-8-16(20-2)13(10-19)7-14(15)17/h3-8,18-19H,9-10H2,1-2H3.
What are the key properties of [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol?
[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol has a molecular weight of 291.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 83962472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).