3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

C17H18ClN3 — CID 110840362

IUPAC3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H18ClN3/c18-15-4-3-5-16(12-15)20-19-13-14-6-8-17(9-7-14)21-10-1-2-11-21/h3-9,12-13,20H,1-2,10-11H2
InChIKeyGDDLAEMQUQSOOC-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.39
Rot. Bonds4

About 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (PubChem CID 110840362) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
PubChem CID110840362
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C17H18ClN3/c18-15-4-3-5-16(12-15)20-19-13-14-6-8-17(9-7-14)21-10-1-2-11-21/h3-9,12-13,20H,1-2,10-11H2
InChIKeyGDDLAEMQUQSOOC-UHFFFAOYSA-N
XLogP4.39
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.39
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

N-[(4-piperidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841699
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
1-(3-chlorophenyl)azonane
CID 145391535
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 6302768
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (CID 110840362) is 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is Clc1cccc(NN=Cc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The InChIKey is GDDLAEMQUQSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c18-15-4-3-5-16(12-15)20-19-13-14-6-8-17(9-7-14)21-10-1-2-11-21/h3-9,12-13,20H,1-2,10-11H2.
What are the key properties of 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline has a molecular weight of 299.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 110840362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).