N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine

C17H23FN2O — CID 104792951

IUPACN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(Cn2cccc2CNCC(C)C)c1F
InChIInChI=1S/C17H23FN2O/c1-13(2)10-19-11-15-7-5-9-20(15)12-14-6-4-8-16(21-3)17(14)18/h4-9,13,19H,10-12H2,1-3H3
InChIKeyFWNAKRVJXVSTRQ-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.43
Rot. Bonds7

About N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104792951) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID104792951
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(Cn2cccc2CNCC(C)C)c1F
InChIInChI=1S/C17H23FN2O/c1-13(2)10-19-11-15-7-5-9-20(15)12-14-6-4-8-16(21-3)17(14)18/h4-9,13,19H,10-12H2,1-3H3
InChIKeyFWNAKRVJXVSTRQ-UHFFFAOYSA-N
XLogP3.43
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 104794838
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
CID 104792687
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66402434
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (CID 104792951) is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is COc1cccc(Cn2cccc2CNCC(C)C)c1F.
What is the InChIKey of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FWNAKRVJXVSTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-13(2)10-19-11-15-7-5-9-20(15)12-14-6-4-8-16(21-3)17(14)18/h4-9,13,19H,10-12H2,1-3H3.
What are the key properties of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104792951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).