1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine

C13H21NO — CID 82492417

IUPAC1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C13H21NO/c1-5-12(14)11-6-7-13(10(4)8-11)15-9(2)3/h6-9,12H,5,14H2,1-4H3
InChIKeyYBIKYUKQJWYYMN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.19
Rot. Bonds4

About 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine

1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82492417) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82492417
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
SMILESCCC(N)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C13H21NO/c1-5-12(14)11-6-7-13(10(4)8-11)15-9(2)3/h6-9,12H,5,14H2,1-4H3
InChIKeyYBIKYUKQJWYYMN-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methyl-4-propan-2-yloxyphenyl)propan-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-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
cyclopentyl-(3-methyl-4-propan-2-yloxyphenyl)methanamine
CID 82296047
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
CID 66514904
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
CID 130664699
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
CID 164892670
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine (CID 82492417) is 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine is CCC(N)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is YBIKYUKQJWYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-12(14)11-6-7-13(10(4)8-11)15-9(2)3/h6-9,12H,5,14H2,1-4H3.
What are the key properties of 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82492417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).