4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol

C17H29FN2O3 — CID 83923208

IUPAC4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol
SMILESCCCOc1cc(F)c(C(O)C(CCN)NC)cc1OCCC
InChIInChI=1S/C17H29FN2O3/c1-4-8-22-15-10-12(17(21)14(20-3)6-7-19)13(18)11-16(15)23-9-5-2/h10-11,14,17,20-21H,4-9,19H2,1-3H3
InChIKeyDUCQBEXXOPQMHM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.37
Rot. Bonds11

About 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol

4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol (PubChem CID 83923208) has the molecular formula C17H29FN2O3 and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol
PubChem CID83923208
Molecular FormulaC17H29FN2O3
Molecular Weight328.43 g/mol
Exact Mass328.22
IUPAC Name4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol
SMILESCCCOc1cc(F)c(C(O)C(CCN)NC)cc1OCCC
InChIInChI=1S/C17H29FN2O3/c1-4-8-22-15-10-12(17(21)14(20-3)6-7-19)13(18)11-16(15)23-9-5-2/h10-11,14,17,20-21H,4-9,19H2,1-3H3
InChIKeyDUCQBEXXOPQMHM-UHFFFAOYSA-N
XLogP2.37
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 83933860
4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol
CID 83942552
4-amino-1-(3-bromo-4-ethoxyphenyl)-2-(methylamino)butan-1-ol
CID 83926197
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
4-amino-1-(4-amino-2-fluoro-5-methoxyphenyl)butane-1,2-diol
CID 171881741
5-amino-2-(4,5-diethoxy-2-fluorophenyl)octan-4-ol
CID 83923165
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
CID 83923062
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol (CID 83923208) is 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol is CCCOc1cc(F)c(C(O)C(CCN)NC)cc1OCCC.
What is the InChIKey of 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol?
The InChIKey is DUCQBEXXOPQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O3/c1-4-8-22-15-10-12(17(21)14(20-3)6-7-19)13(18)11-16(15)23-9-5-2/h10-11,14,17,20-21H,4-9,19H2,1-3H3.
What are the key properties of 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol?
4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol has a molecular weight of 328.43 g/mol, XLogP of 2.37, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoro-4,5-dipropoxyphenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 83923208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).