N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine

C13H20Cl2N2 — CID 43754801

IUPACN-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCC(NCCN(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2/c1-4-13(16-7-8-17(2)3)10-5-6-11(14)12(15)9-10/h5-6,9,13,16H,4,7-8H2,1-3H3
InChIKeyCYHAHIQDROXIKW-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.60
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine

N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 43754801) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID43754801
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCC(NCCN(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2/c1-4-13(16-7-8-17(2)3)10-5-6-11(14)12(15)9-10/h5-6,9,13,16H,4,7-8H2,1-3H3
InChIKeyCYHAHIQDROXIKW-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
N-[1-(3,4-dichlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040767
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
(2R)-2-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 51891388
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
3-(3,4-dichlorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259260
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine (CID 43754801) is N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine is CCC(NCCN(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CYHAHIQDROXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-4-13(16-7-8-17(2)3)10-5-6-11(14)12(15)9-10/h5-6,9,13,16H,4,7-8H2,1-3H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43754801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).