N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine

C25H22ClN3 — CID 20650331

IUPACN-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
SMILESCN(C)c1ccc(/C=N/N(c2ccccc2)c2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C25H22ClN3/c1-28(2)22-16-15-20(24(26)17-22)18-27-29(21-11-4-3-5-12-21)25-14-8-10-19-9-6-7-13-23(19)25/h3-18H,1-2H3/b27-18+
InChIKeyNGOFSBGITLANCF-OVVQPSECSA-N
MW399.93 g/mol
LogP6.73
Rot. Bonds5

About N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine

N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine (PubChem CID 20650331) has the molecular formula C25H22ClN3 and a molecular weight of 399.93 g/mol. Its IUPAC name is N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
PubChem CID20650331
Molecular FormulaC25H22ClN3
Molecular Weight399.93 g/mol
Exact Mass399.15
IUPAC NameN-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
SMILESCN(C)c1ccc(/C=N/N(c2ccccc2)c2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C25H22ClN3/c1-28(2)22-16-15-20(24(26)17-22)18-27-29(21-11-4-3-5-12-21)25-14-8-10-19-9-6-7-13-23(19)25/h3-18H,1-2H3/b27-18+
InChIKeyNGOFSBGITLANCF-OVVQPSECSA-N
XLogP6.73
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.93
LogP ≤ 56.73
H-Bond Donors ≤ 50
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

3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
CID 168531233
N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline
CID 54497636
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
5-(dimethylamino)-2-[(diphenylhydrazinylidene)methyl]phenol
CID 136612078
N-[(4-ethenylphenyl)methylideneamino]-N-phenylnaphthalen-1-amine
CID 58803530
N-phenyl-N-(pyren-4-ylmethylideneamino)aniline
CID 59963659
N-[(E)-[4-(ethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 22964783
N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine
CID 20650343
butane;ethane;N-phenyl-N-(pyren-1-ylmethylideneamino)aniline
CID 91527554
N,N-dimethylbenzo[a]acridin-9-amine
CID 23422075
4-N-[4-[4-(dimethylamino)-N-naphthalen-1-ylanilino]phenyl]-1-N,1-N-dimethyl-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 59806587
[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
CID 168533720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine (CID 20650331) is N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine is CN(C)c1ccc(/C=N/N(c2ccccc2)c2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
The InChIKey is NGOFSBGITLANCF-OVVQPSECSA-N. The full InChI is InChI=1S/C25H22ClN3/c1-28(2)22-16-15-20(24(26)17-22)18-27-29(21-11-4-3-5-12-21)25-14-8-10-19-9-6-7-13-23(19)25/h3-18H,1-2H3/b27-18+.
What are the key properties of N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine?
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine has a molecular weight of 399.93 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 20650331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).