N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C17H24N2OS — CID 16673175

IUPACN'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(CN(CCN(C)C)Cc2cccs2)c1
InChIInChI=1S/C17H24N2OS/c1-18(2)9-10-19(14-17-8-5-11-21-17)13-15-6-4-7-16(12-15)20-3/h4-8,11-12H,9-10,13-14H2,1-3H3
InChIKeyGQXIUDLIAVYFLC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.32
Rot. Bonds8

About N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 16673175) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID16673175
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(CN(CCN(C)C)Cc2cccs2)c1
InChIInChI=1S/C17H24N2OS/c1-18(2)9-10-19(14-17-8-5-11-21-17)13-15-6-4-7-16(12-15)20-3/h4-8,11-12H,9-10,13-14H2,1-3H3
InChIKeyGQXIUDLIAVYFLC-UHFFFAOYSA-N
XLogP3.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
methyl 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]thiophene-3-carboxylate
CID 171442396
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 43818893
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 28771874
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 16673175) is N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is COc1cccc(CN(CCN(C)C)Cc2cccs2)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GQXIUDLIAVYFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-18(2)9-10-19(14-17-8-5-11-21-17)13-15-6-4-7-16(12-15)20-3/h4-8,11-12H,9-10,13-14H2,1-3H3.
What are the key properties of N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 16673175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).