N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine

C13H17FN2 — CID 65335821

IUPACN-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
SMILESCc1[nH]c2ccc(F)cc2c1CNC(C)C
InChIInChI=1S/C13H17FN2/c1-8(2)15-7-12-9(3)16-13-5-4-10(14)6-11(12)13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyLHLFCAKKRVFIDC-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.11
Rot. Bonds3

About N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine

N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine (PubChem CID 65335821) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
PubChem CID65335821
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
SMILESCc1[nH]c2ccc(F)cc2c1CNC(C)C
InChIInChI=1S/C13H17FN2/c1-8(2)15-7-12-9(3)16-13-5-4-10(14)6-11(12)13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyLHLFCAKKRVFIDC-UHFFFAOYSA-N
XLogP3.11
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740322
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
CID 84638269
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737
1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 84620713
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine (CID 65335821) is N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine is Cc1[nH]c2ccc(F)cc2c1CNC(C)C.
What is the InChIKey of N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
The InChIKey is LHLFCAKKRVFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-8(2)15-7-12-9(3)16-13-5-4-10(14)6-11(12)13/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine?
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 65335821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).