N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine

C15H24Cl2N2 — CID 2058180

IUPACN'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H24Cl2N2/c1-4-18(5-2)9-10-19(6-3)12-13-7-8-14(16)15(17)11-13/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyLINYTPQWNGRXFB-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.16
Rot. Bonds8

About N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine

N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine (PubChem CID 2058180) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
PubChem CID2058180
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC NameN'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H24Cl2N2/c1-4-18(5-2)9-10-19(6-3)12-13-7-8-14(16)15(17)11-13/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyLINYTPQWNGRXFB-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986139
2-[(3,4-dichlorophenyl)methyl-ethylamino]acetonitrile
CID 61035372
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
CID 119866058
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 54462268
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
CID 74889407
N'-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N'-[(3,4-dichlorophenyl)methyl]-N,N-diethylethane-1,2-diamine;dihydrochloride
CID 120752745
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
CID 107887497
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine (CID 2058180) is N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is LINYTPQWNGRXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-4-18(5-2)9-10-19(6-3)12-13-7-8-14(16)15(17)11-13/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 303.28 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 2058180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).