2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol

C15H25NO2 — CID 83933625

IUPAC2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
SMILESCCOc1ccc(C)cc1C(C)CC(CN)CO
InChIInChI=1S/C15H25NO2/c1-4-18-15-6-5-11(2)7-14(15)12(3)8-13(9-16)10-17/h5-7,12-13,17H,4,8-10,16H2,1-3H3
InChIKeyCYDGOFHCBOHMMT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.45
Rot. Bonds7

About 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol

2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol (PubChem CID 83933625) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
PubChem CID83933625
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
SMILESCCOc1ccc(C)cc1C(C)CC(CN)CO
InChIInChI=1S/C15H25NO2/c1-4-18-15-6-5-11(2)7-14(15)12(3)8-13(9-16)10-17/h5-7,12-13,17H,4,8-10,16H2,1-3H3
InChIKeyCYDGOFHCBOHMMT-UHFFFAOYSA-N
XLogP2.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.45
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
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
CID 83942169
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
4-(2-ethoxy-5-methylphenyl)pentanenitrile
CID 83933673
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
CID 83934656
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol (CID 83933625) is 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol is CCOc1ccc(C)cc1C(C)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol?
The InChIKey is CYDGOFHCBOHMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-18-15-6-5-11(2)7-14(15)12(3)8-13(9-16)10-17/h5-7,12-13,17H,4,8-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol?
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol is sourced from PubChem (CID 83933625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).