N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine

C11H17FN2O — CID 115205550

IUPACN-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
SMILESCCNCCNc1cc(F)ccc1OC
InChIInChI=1S/C11H17FN2O/c1-3-13-6-7-14-10-8-9(12)4-5-11(10)15-2/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyDXJNMJXNOSHWIT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine

N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 115205550) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
PubChem CID115205550
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
SMILESCCNCCNc1cc(F)ccc1OC
InChIInChI=1S/C11H17FN2O/c1-3-13-6-7-14-10-8-9(12)4-5-11(10)15-2/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyDXJNMJXNOSHWIT-UHFFFAOYSA-N
XLogP1.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
[1-[(5-fluoro-2-methoxyanilino)methyl]cyclobutyl]methanol
CID 115246686
5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214
5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 115881304
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-ethylethane-1,2-diamine
CID 115205581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine (CID 115205550) is N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine is CCNCCNc1cc(F)ccc1OC.
What is the InChIKey of N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is DXJNMJXNOSHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-13-6-7-14-10-8-9(12)4-5-11(10)15-2/h4-5,8,13-14H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine?
N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115205550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).