N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

C17H27FN2O — CID 62278153

IUPACN-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)CNC2CC2)cc1F
InChIInChI=1S/C17H27FN2O/c1-17(2,11-19-14-6-7-14)12-20(3)10-13-5-8-16(21-4)15(18)9-13/h5,8-9,14,19H,6-7,10-12H2,1-4H3
InChIKeyYSAYDBUDISENEX-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.04
Rot. Bonds8

About N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 62278153) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID62278153
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)CNC2CC2)cc1F
InChIInChI=1S/C17H27FN2O/c1-17(2,11-19-14-6-7-14)12-20(3)10-13-5-8-16(21-4)15(18)9-13/h5,8-9,14,19H,6-7,10-12H2,1-4H3
InChIKeyYSAYDBUDISENEX-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
N-cyclopropyl-2-ethyl-N'-[(3-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271920
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
4-[[3-[benzyl(methyl)amino]-2,2-dimethylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122039022
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8909798
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (CID 62278153) is N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is COc1ccc(CN(C)CC(C)(C)CNC2CC2)cc1F.
What is the InChIKey of N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is YSAYDBUDISENEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-17(2,11-19-14-6-7-14)12-20(3)10-13-5-8-16(21-4)15(18)9-13/h5,8-9,14,19H,6-7,10-12H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 294.41 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62278153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).