1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine

C11H17FN2O — CID 117303185

IUPAC1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CN(C)C)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-14(2)8-10-5-4-9(6-11(10)12)7-13-15-3/h4-6,13H,7-8H2,1-3H3
InChIKeyDUNWZZOVSSXMMT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.54
Rot. Bonds5

About 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine

1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine (PubChem CID 117303185) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
PubChem CID117303185
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
SMILESCONCc1ccc(CN(C)C)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-14(2)8-10-5-4-9(6-11(10)12)7-13-15-3/h4-6,13H,7-8H2,1-3H3
InChIKeyDUNWZZOVSSXMMT-UHFFFAOYSA-N
XLogP1.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-fluoro-5-methoxy-2-nitroaniline
CID 133411347
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
2-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-5-fluorobenzonitrile
CID 133411353
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133411419
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133411320
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
2-amino-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-nitrobenzamide
CID 100673050
N-[1-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 71906134
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-2-methylquinolin-4-amine
CID 133411285

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine (CID 117303185) is 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine is CONCc1ccc(CN(C)C)c(F)c1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine?
The InChIKey is DUNWZZOVSSXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(2)8-10-5-4-9(6-11(10)12)7-13-15-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine?
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine has a molecular weight of 212.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine is sourced from PubChem (CID 117303185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).