2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol

C17H29NO2 — CID 83942544

IUPAC2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
SMILESCCOc1ccc(CC)cc1C(CC)CC(CN)CO
InChIInChI=1S/C17H29NO2/c1-4-13-7-8-17(20-6-3)16(10-13)15(5-2)9-14(11-18)12-19/h7-8,10,14-15,19H,4-6,9,11-12,18H2,1-3H3
InChIKeyOUWPCIHCBMAOAX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.10
Rot. Bonds9

About 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol

2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol (PubChem CID 83942544) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
PubChem CID83942544
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
SMILESCCOc1ccc(CC)cc1C(CC)CC(CN)CO
InChIInChI=1S/C17H29NO2/c1-4-13-7-8-17(20-6-3)16(10-13)15(5-2)9-14(11-18)12-19/h7-8,10,14-15,19H,4-6,9,11-12,18H2,1-3H3
InChIKeyOUWPCIHCBMAOAX-UHFFFAOYSA-N
XLogP3.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
CID 83942546
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191
2-[2-(5-chloro-2,4-diethoxyphenyl)butyl]propane-1,3-diamine
CID 83943408
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol (CID 83942544) is 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol is CCOc1ccc(CC)cc1C(CC)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol?
The InChIKey is OUWPCIHCBMAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-13-7-8-17(20-6-3)16(10-13)15(5-2)9-14(11-18)12-19/h7-8,10,14-15,19H,4-6,9,11-12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.10, 9 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-ethylphenyl)hexan-1-ol is sourced from PubChem (CID 83942544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).