[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol

C16H18ClNO3 — CID 110006437

IUPAC[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
SMILESCOc1cc(OC)c(NCc2ccc(CO)cc2)cc1Cl
InChIInChI=1S/C16H18ClNO3/c1-20-15-8-16(21-2)14(7-13(15)17)18-9-11-3-5-12(10-19)6-4-11/h3-8,18-19H,9-10H2,1-2H3
InChIKeyYLCPFRZTMMMGMA-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.46
Rot. Bonds6

About [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol

[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol (PubChem CID 110006437) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
PubChem CID110006437
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
SMILESCOc1cc(OC)c(NCc2ccc(CO)cc2)cc1Cl
InChIInChI=1S/C16H18ClNO3/c1-20-15-8-16(21-2)14(7-13(15)17)18-9-11-3-5-12(10-19)6-4-11/h3-8,18-19H,9-10H2,1-2H3
InChIKeyYLCPFRZTMMMGMA-UHFFFAOYSA-N
XLogP3.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
2-[(5-chloro-2,4-dimethoxyanilino)methyl]-4-methylphenol
CID 63323505
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 115777895
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
5-chloro-2,4-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600349
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol (CID 110006437) is [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol is COc1cc(OC)c(NCc2ccc(CO)cc2)cc1Cl.
What is the InChIKey of [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol?
The InChIKey is YLCPFRZTMMMGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-20-15-8-16(21-2)14(7-13(15)17)18-9-11-3-5-12(10-19)6-4-11/h3-8,18-19H,9-10H2,1-2H3.
What are the key properties of [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol?
[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol has a molecular weight of 307.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol is sourced from PubChem (CID 110006437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).