N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine

C15H24FNO — CID 112700466

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1c(F)cccc1OC)C(C)C
InChIInChI=1S/C15H24FNO/c1-6-13(10(2)3)17-11(4)15-12(16)8-7-9-14(15)18-5/h7-11,13,17H,6H2,1-5H3
InChIKeyADLPJDNNYBMUNL-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.92
Rot. Bonds6

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 112700466) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
PubChem CID112700466
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1c(F)cccc1OC)C(C)C
InChIInChI=1S/C15H24FNO/c1-6-13(10(2)3)17-11(4)15-12(16)8-7-9-14(15)18-5/h7-11,13,17H,6H2,1-5H3
InChIKeyADLPJDNNYBMUNL-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine (CID 112700466) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1c(F)cccc1OC)C(C)C.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is ADLPJDNNYBMUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-13(10(2)3)17-11(4)15-12(16)8-7-9-14(15)18-5/h7-11,13,17H,6H2,1-5H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 253.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 112700466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).