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

C15H24FNO2 — CID 83944138

IUPAC2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
SMILESCCCOc1ccc(F)cc1C(C)CC(CN)CO
InChIInChI=1S/C15H24FNO2/c1-3-6-19-15-5-4-13(16)8-14(15)11(2)7-12(9-17)10-18/h4-5,8,11-12,18H,3,6-7,9-10,17H2,1-2H3
InChIKeyDATXHCROIQMLNF-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.68
Rot. Bonds8

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

2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol (PubChem CID 83944138) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
PubChem CID83944138
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
SMILESCCCOc1ccc(F)cc1C(C)CC(CN)CO
InChIInChI=1S/C15H24FNO2/c1-3-6-19-15-5-4-13(16)8-14(15)11(2)7-12(9-17)10-18/h4-5,8,11-12,18H,3,6-7,9-10,17H2,1-2H3
InChIKeyDATXHCROIQMLNF-UHFFFAOYSA-N
XLogP2.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83935077
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
CID 83942169
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83938445
2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
CID 83934656
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol (CID 83944138) is 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol is CCCOc1ccc(F)cc1C(C)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol?
The InChIKey is DATXHCROIQMLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-6-19-15-5-4-13(16)8-14(15)11(2)7-12(9-17)10-18/h4-5,8,11-12,18H,3,6-7,9-10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol?
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol is sourced from PubChem (CID 83944138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).