[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol

C15H16ClNO — CID 112630922

IUPAC[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
SMILESCc1cccc(Cl)c1NCc1ccc(CO)cc1
InChIInChI=1S/C15H16ClNO/c1-11-3-2-4-14(16)15(11)17-9-12-5-7-13(10-18)8-6-12/h2-8,17-18H,9-10H2,1H3
InChIKeyDSYSWOYEZWDOHI-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.75
Rot. Bonds4

About [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol

[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol (PubChem CID 112630922) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
PubChem CID112630922
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
SMILESCc1cccc(Cl)c1NCc1ccc(CO)cc1
InChIInChI=1S/C15H16ClNO/c1-11-3-2-4-14(16)15(11)17-9-12-5-7-13(10-18)8-6-12/h2-8,17-18H,9-10H2,1H3
InChIKeyDSYSWOYEZWDOHI-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
CID 112630874
4-[(2-chloro-6-methylanilino)methyl]-2-ethoxyphenol
CID 66252251
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6-methylaniline
CID 66251501
[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol (CID 112630922) is [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol is Cc1cccc(Cl)c1NCc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol?
The InChIKey is DSYSWOYEZWDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-3-2-4-14(16)15(11)17-9-12-5-7-13(10-18)8-6-12/h2-8,17-18H,9-10H2,1H3.
What are the key properties of [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol?
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol has a molecular weight of 261.75 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 112630922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).