N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine

C15H24FNO2 — CID 65303172

IUPACN-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(CCOCCNCC(C)C)cc1F
InChIInChI=1S/C15H24FNO2/c1-12(2)11-17-7-9-19-8-6-13-4-5-15(18-3)14(16)10-13/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyBWRDVKNIRBONDJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.64
Rot. Bonds9

About N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 65303172) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID65303172
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(CCOCCNCC(C)C)cc1F
InChIInChI=1S/C15H24FNO2/c1-12(2)11-17-7-9-19-8-6-13-4-5-15(18-3)14(16)10-13/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyBWRDVKNIRBONDJ-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303024
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
4-(3-fluoro-4-methoxyphenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034908
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine (CID 65303172) is N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine is COc1ccc(CCOCCNCC(C)C)cc1F.
What is the InChIKey of N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is BWRDVKNIRBONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-12(2)11-17-7-9-19-8-6-13-4-5-15(18-3)14(16)10-13/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65303172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).