1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine

C14H22Cl2N2 — CID 43273492

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-4-18(9-10(2)3)14(8-17)11-5-6-12(15)13(16)7-11/h5-7,10,14H,4,8-9,17H2,1-3H3
InChIKeyLMLZOGIGJCRJIF-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.97
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine

1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 43273492) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID43273492
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-4-18(9-10(2)3)14(8-17)11-5-6-12(15)13(16)7-11/h5-7,10,14H,4,8-9,17H2,1-3H3
InChIKeyLMLZOGIGJCRJIF-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 63208197
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
1-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65021783
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 106817330
1-(3-chloro-4-methylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 106817491

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 43273492) is 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine is CCN(CC(C)C)C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is LMLZOGIGJCRJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-4-18(9-10(2)3)14(8-17)11-5-6-12(15)13(16)7-11/h5-7,10,14H,4,8-9,17H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine?
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 289.25 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 43273492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).