1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine

C14H22Cl2N2 — CID 114079767

IUPAC1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCNC(CCN(C)C(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H22Cl2N2/c1-10(2)18(4)9-8-13(17-3)11-6-5-7-12(15)14(11)16/h5-7,10,13,17H,8-9H2,1-4H3
InChIKeyQXBOZGMBDIIHGU-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.98
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine

1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 114079767) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID114079767
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCNC(CCN(C)C(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H22Cl2N2/c1-10(2)18(4)9-8-13(17-3)11-6-5-7-12(15)14(11)16/h5-7,10,13,17H,8-9H2,1-4H3
InChIKeyQXBOZGMBDIIHGU-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141888
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
N-[1-(2,3-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103779145
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
CID 62644404
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
N,N'-dimethyl-N'-(3-methylbutan-2-yl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628726
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 114079767) is 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine is CNC(CCN(C)C(C)C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is QXBOZGMBDIIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-10(2)18(4)9-8-13(17-3)11-6-5-7-12(15)14(11)16/h5-7,10,13,17H,8-9H2,1-4H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 289.25 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114079767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).