(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine

C11H13BrN2 — CID 79015819

IUPAC(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
SMILESCC[C@@H](N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2/c1-2-10(13)9-6-14-11-4-3-7(12)5-8(9)11/h3-6,10,14H,2,13H2,1H3/t10-/m1/s1
InChIKeyCVMKSLSSMQRRTN-SNVBAGLBSA-N
MW253.14 g/mol
LogP3.34
Rot. Bonds2

About (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine

(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine (PubChem CID 79015819) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
PubChem CID79015819
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
SMILESCC[C@@H](N)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H13BrN2/c1-2-10(13)9-6-14-11-4-3-7(12)5-8(9)11/h3-6,10,14H,2,13H2,1H3/t10-/m1/s1
InChIKeyCVMKSLSSMQRRTN-SNVBAGLBSA-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

(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(1S)-1-(5-bromo-1H-indol-3-yl)-3-fluoropropan-1-amine
CID 171225867
(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
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamic acid
CID 71223546
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine (CID 79015819) is (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine is CC[C@@H](N)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine?
The InChIKey is CVMKSLSSMQRRTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-2-10(13)9-6-14-11-4-3-7(12)5-8(9)11/h3-6,10,14H,2,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine?
(1R)-1-(5-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 (1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 79015819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).