5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol

C19H21Cl2NO2 — CID 71733465

IUPAC5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(CNC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-14-7-9-18(16(21)11-14)24-19-8-6-13(10-17(19)23)12-22-15-4-2-1-3-5-15/h6-11,15,22-23H,1-5,12H2
InChIKeyHKVCRMWOJBUMKF-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.91
Rot. Bonds5

About 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol

5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol (PubChem CID 71733465) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol.

Molecular Properties

Compound Name5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
PubChem CID71733465
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol
SMILESOc1cc(CNC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c20-14-7-9-18(16(21)11-14)24-19-8-6-13(10-17(19)23)12-22-15-4-2-1-3-5-15/h6-11,15,22-23H,1-5,12H2
InChIKeyHKVCRMWOJBUMKF-UHFFFAOYSA-N
XLogP5.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
CID 23656591
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
5-[(cyclobutylamino)methyl]-2-fluorophenol
CID 117221540
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[3-[(2,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496273
N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283271

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol?
The IUPAC name of 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol (CID 71733465) is 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol.
What is the SMILES notation for 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol?
The canonical SMILES for 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol is Oc1cc(CNC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol?
The InChIKey is HKVCRMWOJBUMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c20-14-7-9-18(16(21)11-14)24-19-8-6-13(10-17(19)23)12-22-15-4-2-1-3-5-15/h6-11,15,22-23H,1-5,12H2.
What are the key properties of 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol?
5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol has a molecular weight of 366.29 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclohexylamino)methyl]-2-(2,4-dichlorophenoxy)phenol is sourced from PubChem (CID 71733465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).