2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol

C17H29NO — CID 83941407

IUPAC2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H29NO/c1-6-16(8-15(9-18)10-19)17-13(4)11(2)7-12(3)14(17)5/h7,15-16,19H,6,8-10,18H2,1-5H3
InChIKeySKPHWWVXLMKJRB-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.37
Rot. Bonds6

About 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol

2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol (PubChem CID 83941407) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol
PubChem CID83941407
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H29NO/c1-6-16(8-15(9-18)10-19)17-13(4)11(2)7-12(3)14(17)5/h7,15-16,19H,6,8-10,18H2,1-5H3
InChIKeySKPHWWVXLMKJRB-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
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-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol
CID 83921754
2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457
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-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
CID 83923858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol (CID 83941407) is 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol is CCC(CC(CN)CO)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol?
The InChIKey is SKPHWWVXLMKJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-16(8-15(9-18)10-19)17-13(4)11(2)7-12(3)14(17)5/h7,15-16,19H,6,8-10,18H2,1-5H3.
What are the key properties of 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)hexan-1-ol is sourced from PubChem (CID 83941407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).