3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine

C23H29Cl2N — CID 176625886

IUPAC3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(C2(c3cc(Cl)c(C(C)C)c(Cl)c3)CCN(C)C2)cc1
InChIInChI=1S/C23H29Cl2N/c1-15(2)17-6-8-18(9-7-17)23(10-11-26(5)14-23)19-12-20(24)22(16(3)4)21(25)13-19/h6-9,12-13,15-16H,10-11,14H2,1-5H3
InChIKeyKIKMVSNDYFHBPT-UHFFFAOYSA-N
MW390.40 g/mol
LogP6.86
Rot. Bonds4

About 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine

3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine (PubChem CID 176625886) has the molecular formula C23H29Cl2N and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
PubChem CID176625886
Molecular FormulaC23H29Cl2N
Molecular Weight390.40 g/mol
Exact Mass389.17
IUPAC Name3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(C2(c3cc(Cl)c(C(C)C)c(Cl)c3)CCN(C)C2)cc1
InChIInChI=1S/C23H29Cl2N/c1-15(2)17-6-8-18(9-7-17)23(10-11-26(5)14-23)19-12-20(24)22(16(3)4)21(25)13-19/h6-9,12-13,15-16H,10-11,14H2,1-5H3
InChIKeyKIKMVSNDYFHBPT-UHFFFAOYSA-N
XLogP6.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine (CID 176625886) is 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccc(C2(c3cc(Cl)c(C(C)C)c(Cl)c3)CCN(C)C2)cc1.
What is the InChIKey of 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
The InChIKey is KIKMVSNDYFHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N/c1-15(2)17-6-8-18(9-7-17)23(10-11-26(5)14-23)19-12-20(24)22(16(3)4)21(25)13-19/h6-9,12-13,15-16H,10-11,14H2,1-5H3.
What are the key properties of 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine?
3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine has a molecular weight of 390.40 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-propan-2-ylphenyl)-1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 176625886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).