2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine

C14H23NO — CID 116924949

IUPAC2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(CN)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)16-14-8-6-13(7-9-14)5-4-12(3)10-15/h6-9,11-12H,4-5,10,15H2,1-3H3
InChIKeyXUHOHUNQGBZQHR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds6

About 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine

2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 116924949) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID116924949
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(CN)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)16-14-8-6-13(7-9-14)5-4-12(3)10-15/h6-9,11-12H,4-5,10,15H2,1-3H3
InChIKeyXUHOHUNQGBZQHR-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine 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-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
CID 115203390
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
2-methyl-4-(4-methylsulfanylphenyl)butan-1-amine
CID 116924975
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759
2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide
CID 84583453
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116607520
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
3-(4-propan-2-yloxyphenyl)propanethioamide
CID 83932816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine (CID 116924949) is 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine is CC(CN)CCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is XUHOHUNQGBZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)16-14-8-6-13(7-9-14)5-4-12(3)10-15/h6-9,11-12H,4-5,10,15H2,1-3H3.
What are the key properties of 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 116924949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).