2-(3-bromo-1H-indol-4-yl)propan-2-amine

C11H13BrN2 — CID 117385066

IUPAC2-(3-bromo-1H-indol-4-yl)propan-2-amine
SMILESCC(C)(N)c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H13BrN2/c1-11(2,13)7-4-3-5-9-10(7)8(12)6-14-9/h3-6,14H,13H2,1-2H3
InChIKeyXPTQUELKPNBVRF-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.12
Rot. Bonds1

About 2-(3-bromo-1H-indol-4-yl)propan-2-amine

2-(3-bromo-1H-indol-4-yl)propan-2-amine (PubChem CID 117385066) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(3-bromo-1H-indol-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-1H-indol-4-yl)propan-2-amine
PubChem CID117385066
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(3-bromo-1H-indol-4-yl)propan-2-amine
SMILESCC(C)(N)c1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H13BrN2/c1-11(2,13)7-4-3-5-9-10(7)8(12)6-14-9/h3-6,14H,13H2,1-2H3
InChIKeyXPTQUELKPNBVRF-UHFFFAOYSA-N
XLogP3.12
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)propan-2-amine
CID 18668060
3-bromo-4-(tert-butylsulfonylmethyl)-1H-indole
CID 165062393
2-(3-bromo-1H-indol-4-yl)propan-1-amine
CID 83900751
4-bromo-3-methyl-1H-indole
CID 52987704
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine
CID 117416509
2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
CID 83903017
(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
CID 137262829
4-bromo-3-methylsulfanyl-1H-indole
CID 152778535
4-bromo-3-fluoro-1H-indole
CID 66817286
3-(3-bromo-1H-indol-4-yl)propan-1-ol
CID 117388096
4-(3-bromo-1H-indol-4-yl)-1,2-oxazol-5-amine
CID 117445500

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1H-indol-4-yl)propan-2-amine?
The IUPAC name of 2-(3-bromo-1H-indol-4-yl)propan-2-amine (CID 117385066) is 2-(3-bromo-1H-indol-4-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-1H-indol-4-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-1H-indol-4-yl)propan-2-amine is CC(C)(N)c1cccc2[nH]cc(Br)c12.
What is the InChIKey of 2-(3-bromo-1H-indol-4-yl)propan-2-amine?
The InChIKey is XPTQUELKPNBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-11(2,13)7-4-3-5-9-10(7)8(12)6-14-9/h3-6,14H,13H2,1-2H3.
What are the key properties of 2-(3-bromo-1H-indol-4-yl)propan-2-amine?
2-(3-bromo-1H-indol-4-yl)propan-2-amine has a molecular weight of 253.14 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1H-indol-4-yl)propan-2-amine is sourced from PubChem (CID 117385066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).