N-[2-(2-fluorophenoxy)ethyl]butan-2-amine

C12H18FNO — CID 2935869

IUPACN-[2-(2-fluorophenoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-10(2)14-8-9-15-12-7-5-4-6-11(12)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyFTMVERSSTZVBFJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]butan-2-amine

N-[2-(2-fluorophenoxy)ethyl]butan-2-amine (PubChem CID 2935869) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]butan-2-amine
PubChem CID2935869
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-10(2)14-8-9-15-12-7-5-4-6-11(12)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKeyFTMVERSSTZVBFJ-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.59
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-[2-(5-bromo-2-fluorophenoxy)ethyl]butan-2-amine
CID 114676978
(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]butan-2-amine
CID 103290342
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 2183255

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]butan-2-amine (CID 2935869) is N-[2-(2-fluorophenoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]butan-2-amine is CCC(C)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]butan-2-amine?
The InChIKey is FTMVERSSTZVBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-10(2)14-8-9-15-12-7-5-4-6-11(12)13/h4-7,10,14H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]butan-2-amine?
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 2935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).