N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H25Cl2N3 — CID 102991984

IUPACN'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H25Cl2N3/c1-4-20(10-6-9-19(2)3)14(11-18)15-12(16)7-5-8-13(15)17/h5,7-8,14H,4,6,9-11,18H2,1-3H3
InChIKeyBJTOATBZIUKHTA-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.27
Rot. Bonds8

About N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991984) has the molecular formula C15H25Cl2N3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991984
Molecular FormulaC15H25Cl2N3
Molecular Weight318.29 g/mol
Exact Mass317.14
IUPAC NameN'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H25Cl2N3/c1-4-20(10-6-9-19(2)3)14(11-18)15-12(16)7-5-8-13(15)17/h5,7-8,14H,4,6,9-11,18H2,1-3H3
InChIKeyBJTOATBZIUKHTA-UHFFFAOYSA-N
XLogP3.27
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102992025
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63980732
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833
N'-[2-amino-1-(3-methylimidazol-4-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991893
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991984) is N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is BJTOATBZIUKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N3/c1-4-20(10-6-9-19(2)3)14(11-18)15-12(16)7-5-8-13(15)17/h5,7-8,14H,4,6,9-11,18H2,1-3H3.
What are the key properties of N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 318.29 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).