4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol

C14H22FNO3 — CID 103906152

IUPAC4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO3/c1-10(16-7-6-11(17)9-18-2)13-5-4-12(19-3)8-14(13)15/h4-5,8,10-11,16-17H,6-7,9H2,1-3H3
InChIKeyFGDCQAVGKYWLJB-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.88
Rot. Bonds8

About 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol

4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol (PubChem CID 103906152) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
PubChem CID103906152
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO3/c1-10(16-7-6-11(17)9-18-2)13-5-4-12(19-3)8-14(13)15/h4-5,8,10-11,16-17H,6-7,9H2,1-3H3
InChIKeyFGDCQAVGKYWLJB-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
1-(2-fluoro-4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903726
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol (CID 103906152) is 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol is COCC(O)CCNC(C)c1ccc(OC)cc1F.
What is the InChIKey of 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol?
The InChIKey is FGDCQAVGKYWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-10(16-7-6-11(17)9-18-2)13-5-4-12(19-3)8-14(13)15/h4-5,8,10-11,16-17H,6-7,9H2,1-3H3.
What are the key properties of 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol?
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol has a molecular weight of 271.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103906152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).