3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol

C15H24FNO2 — CID 103786462

IUPAC3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCOc1cccc(F)c1C(C)NC(CCO)C(C)C
InChIInChI=1S/C15H24FNO2/c1-10(2)13(8-9-18)17-11(3)15-12(16)6-5-7-14(15)19-4/h5-7,10-11,13,17-18H,8-9H2,1-4H3
InChIKeyORNJDZMKINWNSO-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.89
Rot. Bonds7

About 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol

3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 103786462) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID103786462
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCOc1cccc(F)c1C(C)NC(CCO)C(C)C
InChIInChI=1S/C15H24FNO2/c1-10(2)13(8-9-18)17-11(3)15-12(16)6-5-7-14(15)19-4/h5-7,10-11,13,17-18H,8-9H2,1-4H3
InChIKeyORNJDZMKINWNSO-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750572
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol (CID 103786462) is 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol is COc1cccc(F)c1C(C)NC(CCO)C(C)C.
What is the InChIKey of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is ORNJDZMKINWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-10(2)13(8-9-18)17-11(3)15-12(16)6-5-7-14(15)19-4/h5-7,10-11,13,17-18H,8-9H2,1-4H3.
What are the key properties of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol?
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103786462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).