2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C19H26N2OS — CID 78809702

IUPAC2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(CNCc2sccc2C)N2CCCC2)cc1
InChIInChI=1S/C19H26N2OS/c1-15-9-12-23-19(15)14-20-13-18(21-10-3-4-11-21)16-5-7-17(22-2)8-6-16/h5-9,12,18,20H,3-4,10-11,13-14H2,1-2H3
InChIKeyVSPJGCNTSPINFC-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.99
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 78809702) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID78809702
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1ccc(C(CNCc2sccc2C)N2CCCC2)cc1
InChIInChI=1S/C19H26N2OS/c1-15-9-12-23-19(15)14-20-13-18(21-10-3-4-11-21)16-5-7-17(22-2)8-6-16/h5-9,12,18,20H,3-4,10-11,13-14H2,1-2H3
InChIKeyVSPJGCNTSPINFC-UHFFFAOYSA-N
XLogP3.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 78809599
(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60590059
4-[[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 9256891
4-[[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 119137893
4-[[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]-7,8-dimethylchromen-2-one
CID 9466796
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 39963625
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60590060
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55387516

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 78809702) is 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is COc1ccc(C(CNCc2sccc2C)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is VSPJGCNTSPINFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-15-9-12-23-19(15)14-20-13-18(21-10-3-4-11-21)16-5-7-17(22-2)8-6-16/h5-9,12,18,20H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 330.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 78809702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).