N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine

C20H22N2S — CID 69249641

IUPACN-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCc1c(CNC2CCNC2c2ccccc2)sc2ccccc12
InChIInChI=1S/C20H22N2S/c1-14-16-9-5-6-10-18(16)23-19(14)13-22-17-11-12-21-20(17)15-7-3-2-4-8-15/h2-10,17,20-22H,11-13H2,1H3
InChIKeyAFLJJPZDNCODPO-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.40
Rot. Bonds4

About N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine

N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 69249641) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine
PubChem CID69249641
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC NameN-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCc1c(CNC2CCNC2c2ccccc2)sc2ccccc12
InChIInChI=1S/C20H22N2S/c1-14-16-9-5-6-10-18(16)23-19(14)13-22-17-11-12-21-20(17)15-7-3-2-4-8-15/h2-10,17,20-22H,11-13H2,1H3
InChIKeyAFLJJPZDNCODPO-UHFFFAOYSA-N
XLogP4.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine (CID 69249641) is N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine is Cc1c(CNC2CCNC2c2ccccc2)sc2ccccc12.
What is the InChIKey of N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is AFLJJPZDNCODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S/c1-14-16-9-5-6-10-18(16)23-19(14)13-22-17-11-12-21-20(17)15-7-3-2-4-8-15/h2-10,17,20-22H,11-13H2,1H3.
What are the key properties of N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 322.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 69249641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).