1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine

C15H23ClN2O2 — CID 103531121

IUPAC1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
SMILESCOC1CN(C(c2ccccc2Cl)C(C)N)CC1OC
InChIInChI=1S/C15H23ClN2O2/c1-10(17)15(11-6-4-5-7-12(11)16)18-8-13(19-2)14(9-18)20-3/h4-7,10,13-15H,8-9,17H2,1-3H3
InChIKeyCKZRBRQMQJFWPG-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.07
Rot. Bonds5

About 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine

1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine (PubChem CID 103531121) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
PubChem CID103531121
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
SMILESCOC1CN(C(c2ccccc2Cl)C(C)N)CC1OC
InChIInChI=1S/C15H23ClN2O2/c1-10(17)15(11-6-4-5-7-12(11)16)18-8-13(19-2)14(9-18)20-3/h4-7,10,13-15H,8-9,17H2,1-3H3
InChIKeyCKZRBRQMQJFWPG-UHFFFAOYSA-N
XLogP2.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine (CID 103531121) is 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine is COC1CN(C(c2ccccc2Cl)C(C)N)CC1OC.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine?
The InChIKey is CKZRBRQMQJFWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(17)15(11-6-4-5-7-12(11)16)18-8-13(19-2)14(9-18)20-3/h4-7,10,13-15H,8-9,17H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine?
1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine has a molecular weight of 298.81 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 103531121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).