4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol

C14H13Cl2NO — CID 115603316

IUPAC4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-13-2-1-3-14(16)12(13)9-17-8-10-4-6-11(18)7-5-10/h1-7,17-18H,8-9H2
InChIKeyNDONOMHLCMOLMN-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.99
Rot. Bonds4

About 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol

4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol (PubChem CID 115603316) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
PubChem CID115603316
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO/c15-13-2-1-3-14(16)12(13)9-17-8-10-4-6-11(18)7-5-10/h1-7,17-18H,8-9H2
InChIKeyNDONOMHLCMOLMN-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899463
N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
CID 18728431
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28538578
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
3-[[(4-chlorophenyl)methylamino]methyl]phenol
CID 28738427
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
CID 115572171
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
2-chloro-N'-[(4-hydroxyphenyl)methyl]benzohydrazide
CID 4609056
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol (CID 115603316) is 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol is Oc1ccc(CNCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol?
The InChIKey is NDONOMHLCMOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-13-2-1-3-14(16)12(13)9-17-8-10-4-6-11(18)7-5-10/h1-7,17-18H,8-9H2.
What are the key properties of 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol?
4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol has a molecular weight of 282.17 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 115603316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).