1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine

C15H23ClN2 — CID 81166004

IUPAC1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCC2(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11(17)9-12-5-6-14(13(16)10-12)18-8-4-7-15(18,2)3/h5-6,10-11H,4,7-9,17H2,1-3H3
InChIKeyWWQAYORMUJUFQE-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.61
Rot. Bonds3

About 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine

1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine (PubChem CID 81166004) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine
PubChem CID81166004
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCCC2(C)C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11(17)9-12-5-6-14(13(16)10-12)18-8-4-7-15(18,2)3/h5-6,10-11H,4,7-9,17H2,1-3H3
InChIKeyWWQAYORMUJUFQE-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine (CID 81166004) is 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCCC2(C)C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The InChIKey is WWQAYORMUJUFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(17)9-12-5-6-14(13(16)10-12)18-8-4-7-15(18,2)3/h5-6,10-11H,4,7-9,17H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine?
1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 81166004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).