N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine

C22H30N2OS — CID 77083888

IUPACN-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCN(Cc1ccc(C2CCCO2)s1)Cc1ccccc1CN1CCCC1
InChIInChI=1S/C22H30N2OS/c1-23(17-20-10-11-22(26-20)21-9-6-14-25-21)15-18-7-2-3-8-19(18)16-24-12-4-5-13-24/h2-3,7-8,10-11,21H,4-6,9,12-17H2,1H3
InChIKeyXUDNVGUJXPIRGH-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.83
Rot. Bonds7

About N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine

N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 77083888) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID77083888
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC NameN-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCN(Cc1ccc(C2CCCO2)s1)Cc1ccccc1CN1CCCC1
InChIInChI=1S/C22H30N2OS/c1-23(17-20-10-11-22(26-20)21-9-6-14-25-21)15-18-7-2-3-8-19(18)16-24-12-4-5-13-24/h2-3,7-8,10-11,21H,4-6,9,12-17H2,1H3
InChIKeyXUDNVGUJXPIRGH-UHFFFAOYSA-N
XLogP4.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 77083888) is N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine is CN(Cc1ccc(C2CCCO2)s1)Cc1ccccc1CN1CCCC1.
What is the InChIKey of N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is XUDNVGUJXPIRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-23(17-20-10-11-22(26-20)21-9-6-14-25-21)15-18-7-2-3-8-19(18)16-24-12-4-5-13-24/h2-3,7-8,10-11,21H,4-6,9,12-17H2,1H3.
What are the key properties of N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 370.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 77083888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).