N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine

C15H22Cl2N2 — CID 55002202

IUPACN-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2/c1-10(2)9-19(11-6-7-11)14(8-18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3
InChIKeyJIAQVPPBDFZXKZ-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.11
Rot. Bonds6

About N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine

N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55002202) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55002202
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2/c1-10(2)9-19(11-6-7-11)14(8-18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3
InChIKeyJIAQVPPBDFZXKZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63464689
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
1-(3-chloro-2-fluorophenyl)-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114487836
N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62085573
2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine
CID 55001720
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 63786189

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 55002202) is N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C1CC1)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JIAQVPPBDFZXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10(2)9-19(11-6-7-11)14(8-18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 301.26 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55002202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).