N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C14H18N2OS — CID 28771874

IUPACN'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(N(CCN)Cc2cccs2)c1
InChIInChI=1S/C14H18N2OS/c1-17-13-5-2-4-12(10-13)16(8-7-15)11-14-6-3-9-18-14/h2-6,9-10H,7-8,11,15H2,1H3
InChIKeyHCBMSFXHZJSSKI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.72
Rot. Bonds6

About N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 28771874) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID28771874
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(N(CCN)Cc2cccs2)c1
InChIInChI=1S/C14H18N2OS/c1-17-13-5-2-4-12(10-13)16(8-7-15)11-14-6-3-9-18-14/h2-6,9-10H,7-8,11,15H2,1H3
InChIKeyHCBMSFXHZJSSKI-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 16673175
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
N-cyclopropyl-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450741
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 39449518
3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 63774185
3-N-cyclopropyl-5-methoxy-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80729545
2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
CID 113227820
N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 28769805
2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 28771874) is N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is COc1cccc(N(CCN)Cc2cccs2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is HCBMSFXHZJSSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-17-13-5-2-4-12(10-13)16(8-7-15)11-14-6-3-9-18-14/h2-6,9-10H,7-8,11,15H2,1H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 28771874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).