1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

C15H22Cl2N2 — CID 114544833

IUPAC1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C15H22Cl2N2/c1-15(2)7-6-10(8-15)19-13(9-18)11-4-3-5-12(16)14(11)17/h3-5,10,13,19H,6-9,18H2,1-2H3
InChIKeyXHBWWHNBLNVPJA-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544833) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
PubChem CID114544833
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C15H22Cl2N2/c1-15(2)7-6-10(8-15)19-13(9-18)11-4-3-5-12(16)14(11)17/h3-5,10,13,19H,6-9,18H2,1-2H3
InChIKeyXHBWWHNBLNVPJA-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846
N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 114544774
1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544905
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 114544940
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 114544966
1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544888
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544809
N-(3,3-dimethylcyclopentyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 114545027
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544791

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (CID 114544833) is 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is XHBWWHNBLNVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-15(2)7-6-10(8-15)19-13(9-18)11-4-3-5-12(16)14(11)17/h3-5,10,13,19H,6-9,18H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine has a molecular weight of 301.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).