4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol

C15H16ClNO — CID 106863298

IUPAC4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
SMILESCc1ccc(CNCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-2-5-13(15(16)8-11)10-17-9-12-3-6-14(18)7-4-12/h2-8,17-18H,9-10H2,1H3
InChIKeyOXBUITOUJKJVCV-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.64
Rot. Bonds4

About 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol

4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol (PubChem CID 106863298) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
PubChem CID106863298
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
SMILESCc1ccc(CNCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11-2-5-13(15(16)8-11)10-17-9-12-3-6-14(18)7-4-12/h2-8,17-18H,9-10H2,1H3
InChIKeyOXBUITOUJKJVCV-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol (CID 106863298) is 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol is Cc1ccc(CNCc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol?
The InChIKey is OXBUITOUJKJVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-2-5-13(15(16)8-11)10-17-9-12-3-6-14(18)7-4-12/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol?
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol has a molecular weight of 261.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 106863298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).