1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine

C14H19Cl2N — CID 65004014

IUPAC1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine
SMILESCCC1(CC)CC(N)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-3-13(4-2)8-14(17,9-13)11-6-5-10(15)7-12(11)16/h5-7H,3-4,8-9,17H2,1-2H3
InChIKeyJTSXILMXIDPMMO-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.75
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine

1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine (PubChem CID 65004014) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine
PubChem CID65004014
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine
SMILESCCC1(CC)CC(N)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-3-13(4-2)8-14(17,9-13)11-6-5-10(15)7-12(11)16/h5-7H,3-4,8-9,17H2,1-2H3
InChIKeyJTSXILMXIDPMMO-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353243
[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
CID 65013516
1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane
CID 177016687
1-[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]-N-methylmethanamine
CID 65001580
5-(2,4-dichlorophenyl)-5-ethyl-1,3-oxazolidine-2,4-dione
CID 82098501
5-(2,4-dichlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 82098439
1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008881
4-(1-aminocyclopropyl)-3-chloroaniline
CID 123245803
2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole
CID 154641414
[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine
CID 65017030
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine (CID 65004014) is 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine is CCC1(CC)CC(N)(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine?
The InChIKey is JTSXILMXIDPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-3-13(4-2)8-14(17,9-13)11-6-5-10(15)7-12(11)16/h5-7H,3-4,8-9,17H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine?
1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine is sourced from PubChem (CID 65004014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).