1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine

C14H22Cl2N2 — CID 54919770

IUPAC1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-3-4-5-6-18(2)14(10-17)11-7-12(15)9-13(16)8-11/h7-9,14H,3-6,10,17H2,1-2H3
InChIKeyRGMZVORXFQXADR-UHFFFAOYSA-N
MW289.25 g/mol
LogP4.12
Rot. Bonds7

About 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine (PubChem CID 54919770) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
PubChem CID54919770
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-3-4-5-6-18(2)14(10-17)11-7-12(15)9-13(16)8-11/h7-9,14H,3-6,10,17H2,1-2H3
InChIKeyRGMZVORXFQXADR-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine (CID 54919770) is 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine is CCCCCN(C)C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine?
The InChIKey is RGMZVORXFQXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-3-4-5-6-18(2)14(10-17)11-7-12(15)9-13(16)8-11/h7-9,14H,3-6,10,17H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine has a molecular weight of 289.25 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine is sourced from PubChem (CID 54919770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).