3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol

C19H17ClN2O2 — CID 155556671

IUPAC3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol
SMILESNc1cccc(Cl)c1Oc1ccc(CNc2cccc(O)c2)cc1
InChIInChI=1S/C19H17ClN2O2/c20-17-5-2-6-18(21)19(17)24-16-9-7-13(8-10-16)12-22-14-3-1-4-15(23)11-14/h1-11,22-23H,12,21H2
InChIKeyQWWFKMFYKDRACG-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.03
Rot. Bonds5

About 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol

3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol (PubChem CID 155556671) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol.

Molecular Properties

Compound Name3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol
PubChem CID155556671
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol
SMILESNc1cccc(Cl)c1Oc1ccc(CNc2cccc(O)c2)cc1
InChIInChI=1S/C19H17ClN2O2/c20-17-5-2-6-18(21)19(17)24-16-9-7-13(8-10-16)12-22-14-3-1-4-15(23)11-14/h1-11,22-23H,12,21H2
InChIKeyQWWFKMFYKDRACG-UHFFFAOYSA-N
XLogP5.03
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[4-[(3-chloroanilino)methyl]phenoxy]aniline
CID 155545085
3-chloro-2-[4-[(3,5-dichloroanilino)methyl]phenoxy]aniline
CID 155539893
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
CID 174444931
3-[(3-amino-2-pyridinyl)methylamino]phenol
CID 105468639
3-chloro-2-(3,5-dimethylphenoxy)aniline
CID 26189205
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
2-[3-[(3-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43770960
3-chloro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538574

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol?
The IUPAC name of 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol (CID 155556671) is 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol.
What is the SMILES notation for 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol?
The canonical SMILES for 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol is Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(O)c2)cc1.
What is the InChIKey of 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol?
The InChIKey is QWWFKMFYKDRACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-17-5-2-6-18(21)19(17)24-16-9-7-13(8-10-16)12-22-14-3-1-4-15(23)11-14/h1-11,22-23H,12,21H2.
What are the key properties of 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol?
3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol has a molecular weight of 340.81 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-6-chlorophenoxy)phenyl]methylamino]phenol is sourced from PubChem (CID 155556671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).