N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine

C13H20FNO — CID 65303375

IUPACN-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
SMILESCCNCCCCc1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO/c1-3-15-9-5-4-6-11-7-8-12(16-2)10-13(11)14/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyKKEZNWLKCZCFOJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.77
Rot. Bonds7

About N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine

N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine (PubChem CID 65303375) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
PubChem CID65303375
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
SMILESCCNCCCCc1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO/c1-3-15-9-5-4-6-11-7-8-12(16-2)10-13(11)14/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyKKEZNWLKCZCFOJ-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 103396732
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
2-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 102878757
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
CID 59418410
CID 59418410
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine (CID 65303375) is N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine is CCNCCCCc1ccc(OC)cc1F.
What is the InChIKey of N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine?
The InChIKey is KKEZNWLKCZCFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-15-9-5-4-6-11-7-8-12(16-2)10-13(11)14/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine?
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 65303375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).