N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C16H22N2OS — CID 120912913

IUPACN'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1ccsc1CN(CCN)CCc1ccccc1
InChIInChI=1S/C16H22N2OS/c1-19-15-8-12-20-16(15)13-18(11-9-17)10-7-14-5-3-2-4-6-14/h2-6,8,12H,7,9-11,13,17H2,1H3
InChIKeyBFTBKUCLNQVLOB-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.76
Rot. Bonds8

About N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120912913) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120912913
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1ccsc1CN(CCN)CCc1ccccc1
InChIInChI=1S/C16H22N2OS/c1-19-15-8-12-20-16(15)13-18(11-9-17)10-7-14-5-3-2-4-6-14/h2-6,8,12H,7,9-11,13,17H2,1H3
InChIKeyBFTBKUCLNQVLOB-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912912
N'-[(3-methylthiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912634
N'-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912637
N'-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912594
3-(3-methoxythiophen-2-yl)propan-1-amine
CID 170868166
2-[[2-aminoethyl(2-phenylethyl)amino]methyl]-5-methoxypyran-4-one;hydrochloride
CID 120871851
N'-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872049
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912923
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120912913) is N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is COc1ccsc1CN(CCN)CCc1ccccc1.
What is the InChIKey of N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is BFTBKUCLNQVLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-19-15-8-12-20-16(15)13-18(11-9-17)10-7-14-5-3-2-4-6-14/h2-6,8,12H,7,9-11,13,17H2,1H3.
What are the key properties of N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 290.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120912913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).