N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine

C16H23BrN2 — CID 63506657

IUPACN-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCCn1cc(Br)c2ccccc21
InChIInChI=1S/C16H23BrN2/c1-13(2)6-5-9-18-10-11-19-12-15(17)14-7-3-4-8-16(14)19/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3
InChIKeyBNYAXQAHXPPLTP-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.43
Rot. Bonds7

About N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine

N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine (PubChem CID 63506657) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine
PubChem CID63506657
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC NameN-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCNCCn1cc(Br)c2ccccc21
InChIInChI=1S/C16H23BrN2/c1-13(2)6-5-9-18-10-11-19-12-15(17)14-7-3-4-8-16(14)19/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3
InChIKeyBNYAXQAHXPPLTP-UHFFFAOYSA-N
XLogP4.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine
CID 63506495
3-(3-bromoindol-1-yl)-N-propylpropan-1-amine
CID 62804653
N-[3-(3-bromoindol-1-yl)propyl]aniline
CID 63506327
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
CID 62565422
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
4-[2-(3-bromoindol-1-yl)ethyl]aniline
CID 62805730
1-(3-bromoindol-1-yl)-3-methylbutan-2-one
CID 79395579
4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine
CID 62562735
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62566789
9-(4-methylpentyl)carbazole
CID 153073309

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine (CID 63506657) is N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine is CC(C)CCCNCCn1cc(Br)c2ccccc21.
What is the InChIKey of N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine?
The InChIKey is BNYAXQAHXPPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-13(2)6-5-9-18-10-11-19-12-15(17)14-7-3-4-8-16(14)19/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3.
What are the key properties of N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine?
N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine has a molecular weight of 323.28 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 63506657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).