N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine

C16H25BrN2 — CID 18735361

IUPACN-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CCNC(C)CN1CCc2ccc(Br)cc21
InChIInChI=1S/C16H25BrN2/c1-12(2)6-8-18-13(3)11-19-9-7-14-4-5-15(17)10-16(14)19/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyCLQMLGFZLIMUOK-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine

N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine (PubChem CID 18735361) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine
PubChem CID18735361
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CCNC(C)CN1CCc2ccc(Br)cc21
InChIInChI=1S/C16H25BrN2/c1-12(2)6-8-18-13(3)11-19-9-7-14-4-5-15(17)10-16(14)19/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyCLQMLGFZLIMUOK-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
The IUPAC name of N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine (CID 18735361) is N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine is CC(C)CCNC(C)CN1CCc2ccc(Br)cc21.
What is the InChIKey of N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
The InChIKey is CLQMLGFZLIMUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(2)6-8-18-13(3)11-19-9-7-14-4-5-15(17)10-16(14)19/h4-5,10,12-13,18H,6-9,11H2,1-3H3.
What are the key properties of N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 18735361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).