1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine

C12H15FN2 — CID 76846671

IUPAC1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H15FN2/c1-7(2)11(14)9-6-15-12-8(9)4-3-5-10(12)13/h3-7,11,15H,14H2,1-2H3
InChIKeyAPOJBNMVVRPWLB-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.96
Rot. Bonds2

About 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine

1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine (PubChem CID 76846671) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine
PubChem CID76846671
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H15FN2/c1-7(2)11(14)9-6-15-12-8(9)4-3-5-10(12)13/h3-7,11,15H,14H2,1-2H3
InChIKeyAPOJBNMVVRPWLB-UHFFFAOYSA-N
XLogP2.96
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
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CID 55287812
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CID 82500624
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
2-(1-amino-2-methylpropyl)-6-fluorophenol
CID 55294236
7-fluoro-3-iodo-1H-indole
CID 76846549
1-(7-fluoro-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 112716018
5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
CID 136986148
7-fluoro-1H-indole-3-sulfonamide
CID 175763774
3-(7-fluoro-1H-indol-3-yl)cyclohexane-1,2,4,5-tetrone
CID 91058052
1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol
CID 82277631
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine (CID 76846671) is 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1c[nH]c2c(F)cccc12.
What is the InChIKey of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine?
The InChIKey is APOJBNMVVRPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-7(2)11(14)9-6-15-12-8(9)4-3-5-10(12)13/h3-7,11,15H,14H2,1-2H3.
What are the key properties of 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine?
1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine has a molecular weight of 206.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 76846671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).