2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine

C15H22Cl2N2 — CID 103781583

IUPAC2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCC(NCC(C)N(C)C1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N2/c1-10(19(3)12-7-8-12)9-18-11(2)13-5-4-6-14(16)15(13)17/h4-6,10-12,18H,7-9H2,1-3H3
InChIKeyAGYJAECWUIZVMD-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.13
Rot. Bonds6

About 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine (PubChem CID 103781583) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
PubChem CID103781583
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCC(NCC(C)N(C)C1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N2/c1-10(19(3)12-7-8-12)9-18-11(2)13-5-4-6-14(16)15(13)17/h4-6,10-12,18H,7-9H2,1-3H3
InChIKeyAGYJAECWUIZVMD-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 103784583
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 81015081
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
CID 114132419
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
CID 103781587
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine (CID 103781583) is 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine is CC(NCC(C)N(C)C1CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is AGYJAECWUIZVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10(19(3)12-7-8-12)9-18-11(2)13-5-4-6-14(16)15(13)17/h4-6,10-12,18H,7-9H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 301.26 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103781583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).