N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H28Cl2N2 — CID 43757507

IUPACN-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCC(NCCN(C(C)C)C(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2N2/c1-6-17(14-7-8-15(18)16(19)11-14)20-9-10-21(12(2)3)13(4)5/h7-8,11-13,17,20H,6,9-10H2,1-5H3
InChIKeyQBUJCTPRTJPICC-UHFFFAOYSA-N
MW331.33 g/mol
LogP5.15
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43757507) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43757507
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCC(NCCN(C(C)C)C(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2N2/c1-6-17(14-7-8-15(18)16(19)11-14)20-9-10-21(12(2)3)13(4)5/h7-8,11-13,17,20H,6,9-10H2,1-5H3
InChIKeyQBUJCTPRTJPICC-UHFFFAOYSA-N
XLogP5.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
N-[1-(3,4-dichlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040767
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
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
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43757507) is N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCC(NCCN(C(C)C)C(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is QBUJCTPRTJPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N2/c1-6-17(14-7-8-15(18)16(19)11-14)20-9-10-21(12(2)3)13(4)5/h7-8,11-13,17,20H,6,9-10H2,1-5H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 331.33 g/mol, XLogP of 5.15, 8 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'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43757507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).