2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol

C17H29NO2 — CID 83940191

IUPAC2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
SMILESCCOc1cc(C)c(C(CC)CC(CN)CO)c(C)c1
InChIInChI=1S/C17H29NO2/c1-5-15(9-14(10-18)11-19)17-12(3)7-16(20-6-2)8-13(17)4/h7-8,14-15,19H,5-6,9-11,18H2,1-4H3
InChIKeyJMLINXQHMRLIFN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.15
Rot. Bonds8

About 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol

2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol (PubChem CID 83940191) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
PubChem CID83940191
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
SMILESCCOc1cc(C)c(C(CC)CC(CN)CO)c(C)c1
InChIInChI=1S/C17H29NO2/c1-5-15(9-14(10-18)11-19)17-12(3)7-16(20-6-2)8-13(17)4/h7-8,14-15,19H,5-6,9-11,18H2,1-4H3
InChIKeyJMLINXQHMRLIFN-UHFFFAOYSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol
CID 83941407
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-(aminomethyl)-4-(2,4,6-triethoxyphenyl)hexanoic acid
CID 69267992
2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83940184
2-[2-(2-methyl-4-propoxyphenyl)butyl]propane-1,3-diamine
CID 83936840
4-(4-ethoxy-2,3,6-trimethylphenyl)hexane-1,2-diol
CID 83939525

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol (CID 83940191) is 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol is CCOc1cc(C)c(C(CC)CC(CN)CO)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol?
The InChIKey is JMLINXQHMRLIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-15(9-14(10-18)11-19)17-12(3)7-16(20-6-2)8-13(17)4/h7-8,14-15,19H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.15, 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-ethoxy-2,6-dimethylphenyl)hexan-1-ol is sourced from PubChem (CID 83940191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).