(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine

C12H17NO — CID 55274807

IUPAC(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H17NO/c1-5-11(13)10-6-8(2)12(14-4)9(3)7-10/h5-7,11H,1,13H2,2-4H3/t11-/m1/s1
InChIKeyXZJMFKRYSFQSPQ-LLVKDONJSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds3

About (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine

(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine (PubChem CID 55274807) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine
PubChem CID55274807
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H17NO/c1-5-11(13)10-6-8(2)12(14-4)9(3)7-10/h5-7,11H,1,13H2,2-4H3/t11-/m1/s1
InChIKeyXZJMFKRYSFQSPQ-LLVKDONJSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-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

4-[(1S)-1-aminoprop-2-enyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219306
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
CID 83056835
(1R)-1-(4-bromo-3-methylphenyl)prop-2-en-1-amine
CID 131144021
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
(1S)-1-(5-methoxyfuran-3-yl)prop-2-en-1-amine
CID 130648649
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine (CID 55274807) is (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is XZJMFKRYSFQSPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-11(13)10-6-8(2)12(14-4)9(3)7-10/h5-7,11H,1,13H2,2-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine?
(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55274807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).