3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine

C14H19Cl2N — CID 81417802

IUPAC3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(Cl)ccc2Cl)C1C
InChIInChI=1S/C14H19Cl2N/c1-3-6-17-14-8-11(9(14)2)12-7-10(15)4-5-13(12)16/h4-5,7,9,11,14,17H,3,6,8H2,1-2H3
InChIKeyLKWBVRIJJGJILB-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.49
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine

3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine (PubChem CID 81417802) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine
PubChem CID81417802
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(Cl)ccc2Cl)C1C
InChIInChI=1S/C14H19Cl2N/c1-3-6-17-14-8-11(9(14)2)12-7-10(15)4-5-13(12)16/h4-5,7,9,11,14,17H,3,6,8H2,1-2H3
InChIKeyLKWBVRIJJGJILB-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-iodophenyl)-2-methyl-N-propylcyclobutan-1-amine
CID 81418416
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81032114
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
3-(4-chlorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908355
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64620847
3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
CID 81418012
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532
2-(2,5-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 81013313
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine (CID 81417802) is 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2cc(Cl)ccc2Cl)C1C.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine?
The InChIKey is LKWBVRIJJGJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-3-6-17-14-8-11(9(14)2)12-7-10(15)4-5-13(12)16/h4-5,7,9,11,14,17H,3,6,8H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine?
3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-2-methyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81417802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).