1-(3,4-dichlorophenyl)butan-1-imine

C10H11Cl2N — CID 54481578

IUPAC1-(3,4-dichlorophenyl)butan-1-imine
SMILES[H]/N=C(\CCC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6,13H,2-3H2,1H3/b13-10+
InChIKeyXPIPUVTVQBDJDM-JLHYYAGUSA-N
MW216.11 g/mol
LogP4.16
Rot. Bonds3

About 1-(3,4-dichlorophenyl)butan-1-imine

1-(3,4-dichlorophenyl)butan-1-imine (PubChem CID 54481578) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)butan-1-imine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)butan-1-imine
PubChem CID54481578
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name1-(3,4-dichlorophenyl)butan-1-imine
SMILES[H]/N=C(\CCC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6,13H,2-3H2,1H3/b13-10+
InChIKeyXPIPUVTVQBDJDM-JLHYYAGUSA-N
XLogP4.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-4-ylbutan-1-imine
CID 59020939
4-butanimidoyl-2-fluoroaniline
CID 174484093
CID 174552473
CID 174552473
5-butanimidoyl-2-nitroaniline
CID 174476630
1-(3,4-dichlorophenyl)propane-1-thione
CID 91756845
ethyl 3-chloro-4-fluorobenzenecarboximidate chloride
CID 45108649
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide
CID 174605165
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
2-[1-(3,4-dichlorophenyl)propylidene]propanedinitrile
CID 163455880
1-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)butan-1-imine?
The IUPAC name of 1-(3,4-dichlorophenyl)butan-1-imine (CID 54481578) is 1-(3,4-dichlorophenyl)butan-1-imine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)butan-1-imine?
The canonical SMILES for 1-(3,4-dichlorophenyl)butan-1-imine is [H]/N=C(\CCC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)butan-1-imine?
The InChIKey is XPIPUVTVQBDJDM-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6,13H,2-3H2,1H3/b13-10+.
What are the key properties of 1-(3,4-dichlorophenyl)butan-1-imine?
1-(3,4-dichlorophenyl)butan-1-imine has a molecular weight of 216.11 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)butan-1-imine is sourced from PubChem (CID 54481578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).