3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine

C14H17BrN2 — CID 115053082

IUPAC3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine
SMILESNCCCc1cc2c(Br)cccc2n1C1CC1
InChIInChI=1S/C14H17BrN2/c15-13-4-1-5-14-12(13)9-11(3-2-8-16)17(14)10-6-7-10/h1,4-5,9-10H,2-3,6-8,16H2
InChIKeyYKFZHMHNHHQOKQ-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.63
Rot. Bonds4

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

3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine (PubChem CID 115053082) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine
PubChem CID115053082
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine
SMILESNCCCc1cc2c(Br)cccc2n1C1CC1
InChIInChI=1S/C14H17BrN2/c15-13-4-1-5-14-12(13)9-11(3-2-8-16)17(14)10-6-7-10/h1,4-5,9-10H,2-3,6-8,16H2
InChIKeyYKFZHMHNHHQOKQ-UHFFFAOYSA-N
XLogP3.63
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropyl-5-fluoroindol-2-yl)propan-1-amine
CID 115038926
2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine
CID 115053079
2-(1-cyclopentylindol-2-yl)ethanamine
CID 115115551
5-bromo-2-cyclopropyl-3-methylisoquinolin-1-one
CID 82378708
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
CID 117196972
5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
CID 115046881
3-(4-chloro-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117120480
(4-bromo-1-cyclopropylindol-3-yl)methanamine
CID 115049318
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
CID 117173114
3-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117120307

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine (CID 115053082) is 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine is NCCCc1cc2c(Br)cccc2n1C1CC1.
What is the InChIKey of 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine?
The InChIKey is YKFZHMHNHHQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-13-4-1-5-14-12(13)9-11(3-2-8-16)17(14)10-6-7-10/h1,4-5,9-10H,2-3,6-8,16H2.
What are the key properties of 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine?
3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine has a molecular weight of 293.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine is sourced from PubChem (CID 115053082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).