1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine

C18H19BrN2 — CID 102917946

IUPAC1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(Cc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H19BrN2/c1-13(20)9-14-5-6-16-7-8-21(18(16)11-14)12-15-3-2-4-17(19)10-15/h2-8,10-11,13H,9,12,20H2,1H3
InChIKeyWBIPLFGTUCSQEO-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.34
Rot. Bonds4

About 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine

1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine (PubChem CID 102917946) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
PubChem CID102917946
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
SMILESCC(N)Cc1ccc2ccn(Cc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H19BrN2/c1-13(20)9-14-5-6-16-7-8-21(18(16)11-14)12-15-3-2-4-17(19)10-15/h2-8,10-11,13H,9,12,20H2,1H3
InChIKeyWBIPLFGTUCSQEO-UHFFFAOYSA-N
XLogP4.34
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromophenyl)methyl]indole
CID 22256844
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
1-(1-benzylindol-6-yl)-N-methylpropan-2-amine
CID 115107353
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
CID 102917612
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
CID 102918008
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine?
The IUPAC name of 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine (CID 102917946) is 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine is CC(N)Cc1ccc2ccn(Cc3cccc(Br)c3)c2c1.
What is the InChIKey of 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine?
The InChIKey is WBIPLFGTUCSQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-13(20)9-14-5-6-16-7-8-21(18(16)11-14)12-15-3-2-4-17(19)10-15/h2-8,10-11,13H,9,12,20H2,1H3.
What are the key properties of 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine?
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine has a molecular weight of 343.27 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine is sourced from PubChem (CID 102917946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).