4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol

C15H16ClNO — CID 106817009

IUPAC4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
SMILESCc1cc(NCc2ccc(C)c(Cl)c2)ccc1O
InChIInChI=1S/C15H16ClNO/c1-10-3-4-12(8-14(10)16)9-17-13-5-6-15(18)11(2)7-13/h3-8,17-18H,9H2,1-2H3
InChIKeyKVCNNZGOODSTGS-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.27
Rot. Bonds3

About 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol

4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol (PubChem CID 106817009) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
PubChem CID106817009
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
SMILESCc1cc(NCc2ccc(C)c(Cl)c2)ccc1O
InChIInChI=1S/C15H16ClNO/c1-10-3-4-12(8-14(10)16)9-17-13-5-6-15(18)11(2)7-13/h3-8,17-18H,9H2,1-2H3
InChIKeyKVCNNZGOODSTGS-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
CID 113276536
2-chloro-4-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816229
2-chloro-5-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816335
2-methyl-4-(pyridin-4-ylmethylamino)phenol
CID 53404095
4-arsoroso-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 158255701
N-[(3-chloro-4-methylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 106816511
N-benzyl-3-chloro-4-methylaniline
CID 18778604
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol?
The IUPAC name of 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol (CID 106817009) is 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol.
What is the SMILES notation for 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol?
The canonical SMILES for 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol is Cc1cc(NCc2ccc(C)c(Cl)c2)ccc1O.
What is the InChIKey of 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol?
The InChIKey is KVCNNZGOODSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-4-12(8-14(10)16)9-17-13-5-6-15(18)11(2)7-13/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol?
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol has a molecular weight of 261.75 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol is sourced from PubChem (CID 106817009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).