2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol

C16H27NO2 — CID 115251014

IUPAC2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-14(12-18)11-17-10-9-15-5-7-16(8-6-15)19-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyVITWYMCXWOOYDE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.62
Rot. Bonds9

About 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol

2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol (PubChem CID 115251014) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol
PubChem CID115251014
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-14(12-18)11-17-10-9-15-5-7-16(8-6-15)19-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyVITWYMCXWOOYDE-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-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

3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
3-[2-(4-propan-2-yloxyphenyl)ethylamino]propane-1-thiol
CID 115225125
3-methyl-2-[2-(4-propan-2-yloxyphenyl)ethylamino]butan-1-ol
CID 115137707
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
CID 115203390
2-[[2-(4-ethoxy-3-methylphenyl)ethylamino]methyl]butan-1-ol
CID 115251012
2-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]butan-1-ol
CID 115250998
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol (CID 115251014) is 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol is CCC(CO)CNCCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol?
The InChIKey is VITWYMCXWOOYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-14(12-18)11-17-10-9-15-5-7-16(8-6-15)19-13(2)3/h5-8,13-14,17-18H,4,9-12H2,1-3H3.
What are the key properties of 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol?
2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 115251014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).