N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine

C12H18N2OS — CID 83824641

IUPACN'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine
SMILESCOc1ccccc1N(CCN)C1CSC1
InChIInChI=1S/C12H18N2OS/c1-15-12-5-3-2-4-11(12)14(7-6-13)10-8-16-9-10/h2-5,10H,6-9,13H2,1H3
InChIKeyNPEYMBPBAGLRJN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.58
Rot. Bonds5

About N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine

N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine (PubChem CID 83824641) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine
PubChem CID83824641
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine
SMILESCOc1ccccc1N(CCN)C1CSC1
InChIInChI=1S/C12H18N2OS/c1-15-12-5-3-2-4-11(12)14(7-6-13)10-8-16-9-10/h2-5,10H,6-9,13H2,1H3
InChIKeyNPEYMBPBAGLRJN-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methoxy-N-propylaniline
CID 138322865
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N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
N'-(furan-2-ylmethyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 28771828
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382
N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63759021
2-methoxy-N-methyl-N-propylaniline
CID 23198488
[1-amino-2-[2-(2-methoxy-N-methylanilino)ethyl]cyclopentyl]methanol
CID 79571282

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine (CID 83824641) is N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine is COc1ccccc1N(CCN)C1CSC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
The InChIKey is NPEYMBPBAGLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-12-5-3-2-4-11(12)14(7-6-13)10-8-16-9-10/h2-5,10H,6-9,13H2,1H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine?
N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine has a molecular weight of 238.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-(thietan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 83824641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).