5-[(3-chlorophenyl)methylamino]-2-methylphenol

C14H14ClNO — CID 18615765

IUPAC5-[(3-chlorophenyl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2cccc(Cl)c2)cc1O
InChIInChI=1S/C14H14ClNO/c1-10-5-6-13(8-14(10)17)16-9-11-3-2-4-12(15)7-11/h2-8,16-17H,9H2,1H3
InChIKeyQKMHRLUIDMLXTA-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.97
Rot. Bonds3

About 5-[(3-chlorophenyl)methylamino]-2-methylphenol

5-[(3-chlorophenyl)methylamino]-2-methylphenol (PubChem CID 18615765) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methylamino]-2-methylphenol
PubChem CID18615765
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name5-[(3-chlorophenyl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2cccc(Cl)c2)cc1O
InChIInChI=1S/C14H14ClNO/c1-10-5-6-13(8-14(10)17)16-9-11-3-2-4-12(15)7-11/h2-8,16-17H,9H2,1H3
InChIKeyQKMHRLUIDMLXTA-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
CID 107741199
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
4-[(3-chlorophenyl)methylamino]phthalic acid
CID 67019673
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 65436509

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methylamino]-2-methylphenol?
The IUPAC name of 5-[(3-chlorophenyl)methylamino]-2-methylphenol (CID 18615765) is 5-[(3-chlorophenyl)methylamino]-2-methylphenol.
What is the SMILES notation for 5-[(3-chlorophenyl)methylamino]-2-methylphenol?
The canonical SMILES for 5-[(3-chlorophenyl)methylamino]-2-methylphenol is Cc1ccc(NCc2cccc(Cl)c2)cc1O.
What is the InChIKey of 5-[(3-chlorophenyl)methylamino]-2-methylphenol?
The InChIKey is QKMHRLUIDMLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-5-6-13(8-14(10)17)16-9-11-3-2-4-12(15)7-11/h2-8,16-17H,9H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methylamino]-2-methylphenol?
5-[(3-chlorophenyl)methylamino]-2-methylphenol has a molecular weight of 247.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methylamino]-2-methylphenol is sourced from PubChem (CID 18615765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).