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

C17H23FN2O — CID 104792966

IUPACN-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1cccc(OC)c1F
InChIInChI=1S/C17H23FN2O/c1-4-10-19-13(2)15-8-6-11-20(15)12-14-7-5-9-16(21-3)17(14)18/h5-9,11,13,19H,4,10,12H2,1-3H3
InChIKeyKDWZDROFIBOUNK-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.74
Rot. Bonds7

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

N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 104792966) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID104792966
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1cccc(OC)c1F
InChIInChI=1S/C17H23FN2O/c1-4-10-19-13(2)15-8-6-11-20(15)12-14-7-5-9-16(21-3)17(14)18/h5-9,11,13,19H,4,10,12H2,1-3H3
InChIKeyKDWZDROFIBOUNK-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108694
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 104794838
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 104792951
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79102469
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 104792966) is N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1Cc1cccc(OC)c1F.
What is the InChIKey of N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is KDWZDROFIBOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-10-19-13(2)15-8-6-11-20(15)12-14-7-5-9-16(21-3)17(14)18/h5-9,11,13,19H,4,10,12H2,1-3H3.
What are the key properties of N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 290.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).