2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol

C19H33NO2 — CID 83934656

IUPAC2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
SMILESCC(C)COc1ccc(C(C)CC(CN)CO)cc1C(C)C
InChIInChI=1S/C19H33NO2/c1-13(2)12-22-19-7-6-17(9-18(19)14(3)4)15(5)8-16(10-20)11-21/h6-7,9,13-16,21H,8,10-12,20H2,1-5H3
InChIKeyRJVNPFCRAWVNER-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.91
Rot. Bonds9

About 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol

2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol (PubChem CID 83934656) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
PubChem CID83934656
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
SMILESCC(C)COc1ccc(C(C)CC(CN)CO)cc1C(C)C
InChIInChI=1S/C19H33NO2/c1-13(2)12-22-19-7-6-17(9-18(19)14(3)4)15(5)8-16(10-20)11-21/h6-7,9,13-16,21H,8,10-12,20H2,1-5H3
InChIKeyRJVNPFCRAWVNER-UHFFFAOYSA-N
XLogP3.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-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

2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83935077
4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanenitrile
CID 83934695
2-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]propane-1,3-diol
CID 83934685
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
4-[4-(aminomethyl)-5-hydroxypentan-2-yl]-2-methylphenol
CID 83922954
6-(4-ethoxy-3-propan-2-ylphenyl)heptane-3,4-diol
CID 83935306
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
CID 83958259
4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]butan-1-amine
CID 83934697
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol (CID 83934656) is 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol is CC(C)COc1ccc(C(C)CC(CN)CO)cc1C(C)C.
What is the InChIKey of 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol?
The InChIKey is RJVNPFCRAWVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-13(2)12-22-19-7-6-17(9-18(19)14(3)4)15(5)8-16(10-20)11-21/h6-7,9,13-16,21H,8,10-12,20H2,1-5H3.
What are the key properties of 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol?
2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol has a molecular weight of 307.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol is sourced from PubChem (CID 83934656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).