1-methoxy-2-(3-propylphenyl)propan-2-amine

C13H21NO — CID 116542989

IUPAC1-methoxy-2-(3-propylphenyl)propan-2-amine
SMILESCCCc1cccc(C(C)(N)COC)c1
InChIInChI=1S/C13H21NO/c1-4-6-11-7-5-8-12(9-11)13(2,14)10-15-3/h5,7-9H,4,6,10,14H2,1-3H3
InChIKeyIPPMWOKPYUSHLI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.46
Rot. Bonds5

About 1-methoxy-2-(3-propylphenyl)propan-2-amine

1-methoxy-2-(3-propylphenyl)propan-2-amine (PubChem CID 116542989) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-methoxy-2-(3-propylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-(3-propylphenyl)propan-2-amine
PubChem CID116542989
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-methoxy-2-(3-propylphenyl)propan-2-amine
SMILESCCCc1cccc(C(C)(N)COC)c1
InChIInChI=1S/C13H21NO/c1-4-6-11-7-5-8-12(9-11)13(2,14)10-15-3/h5,7-9H,4,6,10,14H2,1-3H3
InChIKeyIPPMWOKPYUSHLI-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-(3-propylphenyl)propan-2-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

1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
CID 114833794
O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117111409
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-methyl-4-[2-(3-propylphenyl)propan-2-yl]benzene
CID 123328001
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-methoxy-3-propylbenzene
CID 14270128
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(3-propylphenyl)propan-2-amine?
The IUPAC name of 1-methoxy-2-(3-propylphenyl)propan-2-amine (CID 116542989) is 1-methoxy-2-(3-propylphenyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-2-(3-propylphenyl)propan-2-amine?
The canonical SMILES for 1-methoxy-2-(3-propylphenyl)propan-2-amine is CCCc1cccc(C(C)(N)COC)c1.
What is the InChIKey of 1-methoxy-2-(3-propylphenyl)propan-2-amine?
The InChIKey is IPPMWOKPYUSHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-11-7-5-8-12(9-11)13(2,14)10-15-3/h5,7-9H,4,6,10,14H2,1-3H3.
What are the key properties of 1-methoxy-2-(3-propylphenyl)propan-2-amine?
1-methoxy-2-(3-propylphenyl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(3-propylphenyl)propan-2-amine is sourced from PubChem (CID 116542989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).