1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol

C15H25NO2 — CID 83933716

IUPAC1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
SMILESCCOc1ccc(C)cc1C(CC)CC(O)CN
InChIInChI=1S/C15H25NO2/c1-4-12(9-13(17)10-16)14-8-11(3)6-7-15(14)18-5-2/h6-8,12-13,17H,4-5,9-10,16H2,1-3H3
InChIKeyRWLBNFSFMNFCPR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.60
Rot. Bonds7

About 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol

1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol (PubChem CID 83933716) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
PubChem CID83933716
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
SMILESCCOc1ccc(C)cc1C(CC)CC(O)CN
InChIInChI=1S/C15H25NO2/c1-4-12(9-13(17)10-16)14-8-11(3)6-7-15(14)18-5-2/h6-8,12-13,17H,4-5,9-10,16H2,1-3H3
InChIKeyRWLBNFSFMNFCPR-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
CID 83933692
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol (CID 83933716) is 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol is CCOc1ccc(C)cc1C(CC)CC(O)CN.
What is the InChIKey of 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol?
The InChIKey is RWLBNFSFMNFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-12(9-13(17)10-16)14-8-11(3)6-7-15(14)18-5-2/h6-8,12-13,17H,4-5,9-10,16H2,1-3H3.
What are the key properties of 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol?
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol is sourced from PubChem (CID 83933716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).