1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

C14H20Cl2N2 — CID 79055718

IUPAC1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C14H20Cl2N2/c1-14(2,18-7-3-4-8-18)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,3-4,7-8,17H2,1-2H3
InChIKeyWZOIYAGDMIAIGB-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.87
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79055718) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79055718
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C14H20Cl2N2/c1-14(2,18-7-3-4-8-18)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,3-4,7-8,17H2,1-2H3
InChIKeyWZOIYAGDMIAIGB-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 79056291
[2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-2-methylpropyl]hydrazine
CID 105397880
1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114269048
2-(azepan-1-yl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 106762702
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248571
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
2-(azepan-1-yl)-1-(2-chloro-5-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 105395162

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 79055718) is 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CC(C)(C(N)c1cc(Cl)ccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is WZOIYAGDMIAIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(2,18-7-3-4-8-18)13(17)11-9-10(15)5-6-12(11)16/h5-6,9,13H,3-4,7-8,17H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 287.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79055718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).