N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine

C12H19FN2O — CID 102876148

IUPACN'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(OC)cc1F
InChIInChI=1S/C12H19FN2O/c1-3-15(7-6-14)9-10-4-5-11(16-2)8-12(10)13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyOKUMIXMFVGJUJF-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.61
Rot. Bonds6

About N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 102876148) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID102876148
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC NameN'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(OC)cc1F
InChIInChI=1S/C12H19FN2O/c1-3-15(7-6-14)9-10-4-5-11(16-2)8-12(10)13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyOKUMIXMFVGJUJF-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102878820
3-[ethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propanethioamide
CID 102876762
N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
2-N,2-diethyl-2-N-[(2-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 102876166
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 103395679
2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 102877791
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 102876148) is N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1ccc(OC)cc1F.
What is the InChIKey of N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is OKUMIXMFVGJUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-15(7-6-14)9-10-4-5-11(16-2)8-12(10)13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).