2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol

C17H19Cl2N3O — CID 135675128

IUPAC2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)c(O)c1
InChIInChI=1S/C17H19Cl2N3O/c1-3-22(4-2)13-6-5-11(16(23)9-13)10-21-12-7-14(18)17(20)15(19)8-12/h5-10,23H,3-4,20H2,1-2H3/b21-10+
InChIKeyIRWIBZFPJSJKPN-UFFVCSGVSA-N
MW352.27 g/mol
LogP4.88
Rot. Bonds5

About 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol

2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol (PubChem CID 135675128) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
PubChem CID135675128
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)c(O)c1
InChIInChI=1S/C17H19Cl2N3O/c1-3-22(4-2)13-6-5-11(16(23)9-13)10-21-12-7-14(18)17(20)15(19)8-12/h5-10,23H,3-4,20H2,1-2H3/b21-10+
InChIKeyIRWIBZFPJSJKPN-UFFVCSGVSA-N
XLogP4.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 13059674
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
2-[[4-(diethylamino)phenyl]iminomethyl]-5-[ethyl(methyl)amino]phenol
CID 142086910
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
2-(1,3-benzodioxol-5-yliminomethyl)-5-(diethylamino)phenol
CID 2352957
5-(diethylamino)-2-[[4-(difluoromethoxy)phenyl]iminomethyl]phenol
CID 135774334
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
5-(diethylamino)-2-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 830890
[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl] thiocyanate
CID 135556431
5-(diethylamino)-2-[[3-(hydroxymethyl)-4-methoxyphenyl]iminomethyl]phenol
CID 136733745
5-(diethylamino)-2-[[4-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135774370

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol (CID 135675128) is 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)c(O)c1.
What is the InChIKey of 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
The InChIKey is IRWIBZFPJSJKPN-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-3-22(4-2)13-6-5-11(16(23)9-13)10-21-12-7-14(18)17(20)15(19)8-12/h5-10,23H,3-4,20H2,1-2H3/b21-10+.
What are the key properties of 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol?
2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol has a molecular weight of 352.27 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol is sourced from PubChem (CID 135675128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).