1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C14H20Cl2N2 — CID 55258811

IUPAC1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CN(C)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-9-5-10(9)8-18(2)14(7-17)12-4-3-11(15)6-13(12)16/h3-4,6,9-10,14H,5,7-8,17H2,1-2H3
InChIKeyZHHXEQRCAYJRLV-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 55258811) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID55258811
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCC1CC1CN(C)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-9-5-10(9)8-18(2)14(7-17)12-4-3-11(15)6-13(12)16/h3-4,6,9-10,14H,5,7-8,17H2,1-2H3
InChIKeyZHHXEQRCAYJRLV-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879248
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
1-(2,4-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438696
1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879579
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258429
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 63681537
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948769
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585830
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66158019
2-(2,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62332287
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 66157032

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 55258811) is 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CC1CC1CN(C)C(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is ZHHXEQRCAYJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-9-5-10(9)8-18(2)14(7-17)12-4-3-11(15)6-13(12)16/h3-4,6,9-10,14H,5,7-8,17H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 287.23 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55258811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).