N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine

C21H31NO4S — CID 14650058

IUPACN,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine
SMILESCCC(COCc1cc(OC)c(OC)c(OC)c1)(Cc1cccs1)N(C)C
InChIInChI=1S/C21H31NO4S/c1-7-21(22(2)3,13-17-9-8-10-27-17)15-26-14-16-11-18(23-4)20(25-6)19(12-16)24-5/h8-12H,7,13-15H2,1-6H3
InChIKeyIGSCZURDYMURPG-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.24
Rot. Bonds11

About N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine

N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine (PubChem CID 14650058) has the molecular formula C21H31NO4S and a molecular weight of 393.55 g/mol. Its IUPAC name is N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine
PubChem CID14650058
Molecular FormulaC21H31NO4S
Molecular Weight393.55 g/mol
Exact Mass393.20
IUPAC NameN,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine
SMILESCCC(COCc1cc(OC)c(OC)c(OC)c1)(Cc1cccs1)N(C)C
InChIInChI=1S/C21H31NO4S/c1-7-21(22(2)3,13-17-9-8-10-27-17)15-26-14-16-11-18(23-4)20(25-6)19(12-16)24-5/h8-12H,7,13-15H2,1-6H3
InChIKeyIGSCZURDYMURPG-UHFFFAOYSA-N
XLogP4.24
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine with MolForge

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Related Compounds

3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428
N-methyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
CID 12926477
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline
CID 54967007
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838372
1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
CID 12926482
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111258705
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine?
The IUPAC name of N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine (CID 14650058) is N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine?
The canonical SMILES for N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine is CCC(COCc1cc(OC)c(OC)c(OC)c1)(Cc1cccs1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine?
The InChIKey is IGSCZURDYMURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4S/c1-7-21(22(2)3,13-17-9-8-10-27-17)15-26-14-16-11-18(23-4)20(25-6)19(12-16)24-5/h8-12H,7,13-15H2,1-6H3.
What are the key properties of N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine?
N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine has a molecular weight of 393.55 g/mol, XLogP of 4.24, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methoxymethyl]butan-2-amine is sourced from PubChem (CID 14650058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).