N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine

C11H17FN2O — CID 115195380

IUPACN'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCN)cc1F
InChIInChI=1S/C11H17FN2O/c1-15-11-3-2-9(8-10(11)12)4-6-14-7-5-13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyBPHLWHYHHXUUQT-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.93
Rot. Bonds6

About N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195380) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195380
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameN'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccc(CCNCCN)cc1F
InChIInChI=1S/C11H17FN2O/c1-15-11-3-2-9(8-10(11)12)4-6-14-7-5-13/h2-3,8,14H,4-7,13H2,1H3
InChIKeyBPHLWHYHHXUUQT-UHFFFAOYSA-N
XLogP0.93
TPSA47.28 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 ≤ 50.93
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

3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
N'-[2-(3-bromo-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195398
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 115195380) is N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1ccc(CCNCCN)cc1F.
What is the InChIKey of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is BPHLWHYHHXUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-15-11-3-2-9(8-10(11)12)4-6-14-7-5-13/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).