3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine

C14H19BrN2 — CID 117121603

IUPAC3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN)cc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyMJAUXMKONXTSBH-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.88
Rot. Bonds4

About 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine

3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine (PubChem CID 117121603) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
PubChem CID117121603
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN)cc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8-10H,3-4,7,16H2,1-2H3
InChIKeyMJAUXMKONXTSBH-UHFFFAOYSA-N
XLogP3.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117177401
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307
(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
3-(2-methyl-1-propan-2-ylindol-6-yl)propan-1-amine
CID 117204891
(5-amino-1-propan-2-ylindol-2-yl)methanol
CID 117177413
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine
CID 117195269
2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177120
2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117122810
3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
CID 82625601

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine (CID 117121603) is 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine is CC(C)n1c(CCCN)cc2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine?
The InChIKey is MJAUXMKONXTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-10(2)17-13(4-3-7-16)9-11-8-12(15)5-6-14(11)17/h5-6,8-10H,3-4,7,16H2,1-2H3.
What are the key properties of 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine?
3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine has a molecular weight of 295.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine is sourced from PubChem (CID 117121603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).