[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol

C15H15Cl2NO — CID 115969675

IUPAC[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
SMILESCc1cc(Cl)c(NCc2ccc(CO)cc2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-6-14(17)15(7-13(10)16)18-8-11-2-4-12(9-19)5-3-11/h2-7,18-19H,8-9H2,1H3
InChIKeyLZOVFWLPRKLEER-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.41
Rot. Bonds4

About [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol

[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol (PubChem CID 115969675) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
PubChem CID115969675
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
SMILESCc1cc(Cl)c(NCc2ccc(CO)cc2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10-6-14(17)15(7-13(10)16)18-8-11-2-4-12(9-19)5-3-11/h2-7,18-19H,8-9H2,1H3
InChIKeyLZOVFWLPRKLEER-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726041
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
4-[(2,5-dichloro-4-methylanilino)methyl]benzoic acid
CID 104726007
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
2,5-dichloro-4-methyl-N-[(4-propoxyphenyl)methyl]aniline
CID 104726150
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726083
[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
CID 110006437
4-[(2,4,5-trichloroanilino)methyl]phenol
CID 28536282
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol (CID 115969675) is [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol is Cc1cc(Cl)c(NCc2ccc(CO)cc2)cc1Cl.
What is the InChIKey of [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol?
The InChIKey is LZOVFWLPRKLEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10-6-14(17)15(7-13(10)16)18-8-11-2-4-12(9-19)5-3-11/h2-7,18-19H,8-9H2,1H3.
What are the key properties of [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol?
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol has a molecular weight of 296.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 115969675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).