(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine

C11H13BrN2 — CID 82758929

IUPAC(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2/c1-2-10(13)9-6-14-11-5-7(12)3-4-8(9)11/h3-6,10,14H,2,13H2,1H3/t10-/m0/s1
InChIKeyKYEOSJZCQKCBFG-JTQLQIEISA-N
MW253.14 g/mol
LogP3.34
Rot. Bonds2

About (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine

(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine (PubChem CID 82758929) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
PubChem CID82758929
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2/c1-2-10(13)9-6-14-11-5-7(12)3-4-8(9)11/h3-6,10,14H,2,13H2,1H3/t10-/m0/s1
InChIKeyKYEOSJZCQKCBFG-JTQLQIEISA-N
XLogP3.34
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
CID 170829404
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
CID 82277649
1-(6-amino-1H-indol-3-yl)ethane-1,2-diamine
CID 119082213
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
4-amino-3-(6-bromo-1H-indol-3-yl)butanoic acid
CID 165476099

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine?
The IUPAC name of (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine (CID 82758929) is (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine is CC[C@H](N)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine?
The InChIKey is KYEOSJZCQKCBFG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrN2/c1-2-10(13)9-6-14-11-5-7(12)3-4-8(9)11/h3-6,10,14H,2,13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine?
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine has a molecular weight of 253.14 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82758929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).