1,1-dimethoxy-3-phenylpropan-2-amine

C11H17NO2 — CID 66940898

IUPAC1,1-dimethoxy-3-phenylpropan-2-amine
SMILESCOC(OC)C(N)Cc1ccccc1
InChIInChI=1S/C11H17NO2/c1-13-11(14-2)10(12)8-9-6-4-3-5-7-9/h3-7,10-11H,8,12H2,1-2H3
InChIKeyIFUOZMQFLICJQQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.18
Rot. Bonds5

About 1,1-dimethoxy-3-phenylpropan-2-amine

1,1-dimethoxy-3-phenylpropan-2-amine (PubChem CID 66940898) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1,1-dimethoxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-3-phenylpropan-2-amine
PubChem CID66940898
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1,1-dimethoxy-3-phenylpropan-2-amine
SMILESCOC(OC)C(N)Cc1ccccc1
InChIInChI=1S/C11H17NO2/c1-13-11(14-2)10(12)8-9-6-4-3-5-7-9/h3-7,10-11H,8,12H2,1-2H3
InChIKeyIFUOZMQFLICJQQ-UHFFFAOYSA-N
XLogP1.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-dimethoxy-3-phenylpropan-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

Solriamfetol
CID 10130337
Solriamfetol Hydrochloride
CID 67583702
Solriamfetol (2-amino-3-phenylpropyl carbamate; benzenepropanol, beta-amino-, carbamate (ester))
CID 11708214
1-Methoxy-3-phenylpropan-2-amine
CID 5106602
2,2-Dimethoxy-1-phenylethan-1-amine
CID 21714027
(2S)-2-amino-3-phenylpropane-1,1-diol
CID 445494
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Methoxy-1-phenylethan-1-amine
CID 11105539
2-Methoxy-1-phenylethan-1-amine hydrochloride
CID 19693359
(R)-2-Methoxy-1-phenylethanamine hydrochloride
CID 66589172
(1S)-2-methoxy-1-phenylethan-1-amine hydrochloride
CID 70182818
N-(2-Phenylethyl)aminoacetaldehyde diethyl acetal
CID 523116

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-phenylpropan-2-amine?
The IUPAC name of 1,1-dimethoxy-3-phenylpropan-2-amine (CID 66940898) is 1,1-dimethoxy-3-phenylpropan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-3-phenylpropan-2-amine?
The canonical SMILES for 1,1-dimethoxy-3-phenylpropan-2-amine is COC(OC)C(N)Cc1ccccc1.
What is the InChIKey of 1,1-dimethoxy-3-phenylpropan-2-amine?
The InChIKey is IFUOZMQFLICJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-13-11(14-2)10(12)8-9-6-4-3-5-7-9/h3-7,10-11H,8,12H2,1-2H3.
What are the key properties of 1,1-dimethoxy-3-phenylpropan-2-amine?
1,1-dimethoxy-3-phenylpropan-2-amine has a molecular weight of 195.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-phenylpropan-2-amine is sourced from PubChem (CID 66940898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).