2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine

C13H21FN2O — CID 55085750

IUPAC2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCOCC(C)(CN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2O/c1-13(9-15,10-17-3)16(2)8-11-5-4-6-12(14)7-11/h4-7H,8-10,15H2,1-3H3
InChIKeyYBJSZXZXNIKTQJ-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.62
Rot. Bonds6

About 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine

2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 55085750) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
PubChem CID55085750
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
SMILESCOCC(C)(CN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H21FN2O/c1-13(9-15,10-17-3)16(2)8-11-5-4-6-12(14)7-11/h4-7H,8-10,15H2,1-3H3
InChIKeyYBJSZXZXNIKTQJ-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine (CID 55085750) is 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine is COCC(C)(CN)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YBJSZXZXNIKTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-13(9-15,10-17-3)16(2)8-11-5-4-6-12(14)7-11/h4-7H,8-10,15H2,1-3H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 55085750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).