1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol

C14H22FNO2 — CID 83944229

IUPAC1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
SMILESCCCOc1ccc(F)cc1C(C)CC(O)CN
InChIInChI=1S/C14H22FNO2/c1-3-6-18-14-5-4-11(15)8-13(14)10(2)7-12(17)9-16/h4-5,8,10,12,17H,3,6-7,9,16H2,1-2H3
InChIKeyVBHRFPTVWSVWSQ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.43
Rot. Bonds7

About 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol

1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol (PubChem CID 83944229) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
PubChem CID83944229
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
SMILESCCCOc1ccc(F)cc1C(C)CC(O)CN
InChIInChI=1S/C14H22FNO2/c1-3-6-18-14-5-4-11(15)8-13(14)10(2)7-12(17)9-16/h4-5,8,10,12,17H,3,6-7,9,16H2,1-2H3
InChIKeyVBHRFPTVWSVWSQ-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
CID 107443118
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol (CID 83944229) is 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol is CCCOc1ccc(F)cc1C(C)CC(O)CN.
What is the InChIKey of 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol?
The InChIKey is VBHRFPTVWSVWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-6-18-14-5-4-11(15)8-13(14)10(2)7-12(17)9-16/h4-5,8,10,12,17H,3,6-7,9,16H2,1-2H3.
What are the key properties of 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol?
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol is sourced from PubChem (CID 83944229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).