2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol

C15H25NO2 — CID 83932187

IUPAC2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
SMILESCCOc1ccc(C(CC)CC(CN)CO)cc1
InChIInChI=1S/C15H25NO2/c1-3-13(9-12(10-16)11-17)14-5-7-15(8-6-14)18-4-2/h5-8,12-13,17H,3-4,9-11,16H2,1-2H3
InChIKeyARRVXPNENCSFHM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.54
Rot. Bonds8

About 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol

2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol (PubChem CID 83932187) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
PubChem CID83932187
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
SMILESCCOc1ccc(C(CC)CC(CN)CO)cc1
InChIInChI=1S/C15H25NO2/c1-3-13(9-12(10-16)11-17)14-5-7-15(8-6-14)18-4-2/h5-8,12-13,17H,3-4,9-11,16H2,1-2H3
InChIKeyARRVXPNENCSFHM-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
CID 83932910
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
2-[2-(4-pentoxyphenyl)butyl]propane-1,3-diamine
CID 83932541
2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol
CID 83921754
2-(aminomethyl)-4-(4-propylsulfonylphenyl)hexan-1-ol
CID 83927291
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
CID 83926083
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-(aminomethyl)-3-(4-ethoxy-2-ethylphenyl)propan-1-ol
CID 83941663
amino-(4-ethoxyphenyl)methanol
CID 116939610

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol (CID 83932187) is 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol is CCOc1ccc(C(CC)CC(CN)CO)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol?
The InChIKey is ARRVXPNENCSFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-13(9-12(10-16)11-17)14-5-7-15(8-6-14)18-4-2/h5-8,12-13,17H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol?
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol is sourced from PubChem (CID 83932187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).