1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

C17H29FN2O — CID 79047153

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)C(C)(C)N(C)C
InChIInChI=1S/C17H29FN2O/c1-7-10-19-16(17(2,3)20(4)5)12-13-8-9-15(21-6)14(18)11-13/h8-9,11,16,19H,7,10,12H2,1-6H3
InChIKeyGFOKWUSFYRIMAG-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.09
Rot. Bonds8

About 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (PubChem CID 79047153) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
PubChem CID79047153
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)C(C)(C)N(C)C
InChIInChI=1S/C17H29FN2O/c1-7-10-19-16(17(2,3)20(4)5)12-13-8-9-15(21-6)14(18)11-13/h8-9,11,16,19H,7,10,12H2,1-6H3
InChIKeyGFOKWUSFYRIMAG-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine 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-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990215
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (CID 79047153) is 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is CCCNC(Cc1ccc(OC)c(F)c1)C(C)(C)N(C)C.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The InChIKey is GFOKWUSFYRIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-7-10-19-16(17(2,3)20(4)5)12-13-8-9-15(21-6)14(18)11-13/h8-9,11,16,19H,7,10,12H2,1-6H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine has a molecular weight of 296.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 79047153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).