N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine

C16H16Cl2N2O — CID 110839808

IUPACN-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESCCOc1c(Cl)cc(C=NNCc2ccccc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-2-21-16-14(17)8-13(9-15(16)18)11-20-19-10-12-6-4-3-5-7-12/h3-9,11,19H,2,10H2,1H3
InChIKeyHWHORRUCQXFZNS-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.52
Rot. Bonds6

About N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine

N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 110839808) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
PubChem CID110839808
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESCCOc1c(Cl)cc(C=NNCc2ccccc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-2-21-16-14(17)8-13(9-15(16)18)11-20-19-10-12-6-4-3-5-7-12/h3-9,11,19H,2,10H2,1H3
InChIKeyHWHORRUCQXFZNS-UHFFFAOYSA-N
XLogP4.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]thiourea
CID 110533559
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060280
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
1-benzyl-3-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]thiourea
CID 110533003
N-[(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839822
1-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508576
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
N-benzyl-N'-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8900710
N-[(E)-[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060330
N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059999
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
N-[(E)-[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060327

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine (CID 110839808) is N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine is CCOc1c(Cl)cc(C=NNCc2ccccc2)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is HWHORRUCQXFZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-21-16-14(17)8-13(9-15(16)18)11-20-19-10-12-6-4-3-5-7-12/h3-9,11,19H,2,10H2,1H3.
What are the key properties of N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 323.22 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).