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

C15H22Cl2N2 — CID 114544905

IUPAC1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H22Cl2N2/c1-15(2)6-5-11(8-15)19-14(9-18)10-3-4-12(16)13(17)7-10/h3-4,7,11,14,19H,5-6,8-9,18H2,1-2H3
InChIKeyWKVQNDNQEFGSOW-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.16
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544905) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
PubChem CID114544905
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H22Cl2N2/c1-15(2)6-5-11(8-15)19-14(9-18)10-3-4-12(16)13(17)7-10/h3-4,7,11,14,19H,5-6,8-9,18H2,1-2H3
InChIKeyWKVQNDNQEFGSOW-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

4-chloro-N-cyclopentylbenzylamine
CID 834083
1-(2-(3,4-Dichlorophenyl)ethyl)piperazine
CID 44314387
[2-(3,4-Dichloro-phenyl)-ethyl]-(2-pyrrolidin-1-yl-cyclohexyl)-amine
CID 9905985
(3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 15113313
[(3,4-Dichlorophenyl)methyl](methyl)amine
CID 485436
N-((3,4-dichlorophenyl)methyl)cyclopropanamine
CID 4719898
K7C7Xkk3P3
CID 5471948
2-(3,4-Dichlorophenyl)-N-[2-(1-pyrrolidinyl)ethyl]ethanamine
CID 9882367
[2-(3,4-Dichloro-phenyl)-ethyl]-(1-ethyl-pyrrolidin-2-ylmethyl)-amine
CID 10017724
[2-(3,4-Dichloro-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061899
N*1*-[2-(3,4-Dichloro-phenyl)-ethyl]-N*1*,N*2*,N*2*-trimethyl-propane-1,2-diamine
CID 15113311
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)ethanamine
CID 53322397

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (CID 114544905) is 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is WKVQNDNQEFGSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-15(2)6-5-11(8-15)19-14(9-18)10-3-4-12(16)13(17)7-10/h3-4,7,11,14,19H,5-6,8-9,18H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
1-(3,4-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-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).