1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine

C9H9ClN2 — CID 173297669

IUPAC1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,11H,12H2/b9-5?,11-6+
InChIKeyFLBVYKQAWWUOFV-FRDIMMCXSA-N
MW180.64 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine

1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine (PubChem CID 173297669) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
PubChem CID173297669
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,11H,12H2/b9-5?,11-6+
InChIKeyFLBVYKQAWWUOFV-FRDIMMCXSA-N
XLogP2.29
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 168944442
(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
1-[4-(1-amino-3-iminoprop-1-enyl)phenyl]-3-ethylurea
CID 173296803
(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
CID 156898559
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
2-(4-chlorophenyl)-2-iminoethanethioamide
CID 142642953
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
1-(4-chlorophenyl)ethenamine
CID 122642948
(3S)-3-[4-[4-[(Z)-1-amino-3-iminoprop-1-enyl]phenoxy]phenoxy]-3-methyloxolan-2-one
CID 89395176
[amino-(4-chlorophenyl)methylidene]azanium chloride
CID 10888750
(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
CID 115034283

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine (CID 173297669) is 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine?
The InChIKey is FLBVYKQAWWUOFV-FRDIMMCXSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,11H,12H2/b9-5?,11-6+.
What are the key properties of 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine?
1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine has a molecular weight of 180.64 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 173297669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).