[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol

C15H16ClNO2 — CID 107266036

IUPAC[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
SMILESCOc1cc(NCc2ccc(CO)cc2)ccc1Cl
InChIInChI=1S/C15H16ClNO2/c1-19-15-8-13(6-7-14(15)16)17-9-11-2-4-12(10-18)5-3-11/h2-8,17-18H,9-10H2,1H3
InChIKeyCRDMMAXZSDWJSI-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.45
Rot. Bonds5

About [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol

[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol (PubChem CID 107266036) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
PubChem CID107266036
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
SMILESCOc1cc(NCc2ccc(CO)cc2)ccc1Cl
InChIInChI=1S/C15H16ClNO2/c1-19-15-8-13(6-7-14(15)16)17-9-11-2-4-12(10-18)5-3-11/h2-8,17-18H,9-10H2,1H3
InChIKeyCRDMMAXZSDWJSI-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
4-chloro-3-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 107621263
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-methoxyaniline
CID 107265964
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
CID 110006437
[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 115777895
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol (CID 107266036) is [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol is COc1cc(NCc2ccc(CO)cc2)ccc1Cl.
What is the InChIKey of [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol?
The InChIKey is CRDMMAXZSDWJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-19-15-8-13(6-7-14(15)16)17-9-11-2-4-12(10-18)5-3-11/h2-8,17-18H,9-10H2,1H3.
What are the key properties of [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol?
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107266036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).