N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C15H21FN4O — CID 107688885

IUPACN-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCc2ncnn2C)c(F)c1
InChIInChI=1S/C15H21FN4O/c1-11(2)7-17-8-12-4-5-14(13(16)6-12)21-9-15-18-10-19-20(15)3/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyLXSPBIXIPVYVBL-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.28
Rot. Bonds7

About N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107688885) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107688885
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCc2ncnn2C)c(F)c1
InChIInChI=1S/C15H21FN4O/c1-11(2)7-17-8-12-4-5-14(13(16)6-12)21-9-15-18-10-19-20(15)3/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyLXSPBIXIPVYVBL-UHFFFAOYSA-N
XLogP2.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[3-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107687100
N-[[3-fluoro-4-(2-fluoroethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107689008
N-[[3-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107688929
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 79883132
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 107688867
1-ethoxy-3-[2-fluoro-4-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 107688740
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553316
N-[[3-fluoro-4-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805045

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 107688885) is N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(OCc2ncnn2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LXSPBIXIPVYVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-11(2)7-17-8-12-4-5-14(13(16)6-12)21-9-15-18-10-19-20(15)3/h4-6,10-11,17H,7-9H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107688885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).