2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine

C14H17BrN2 — CID 62327708

IUPAC2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1ccc[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2/c1-14(2,11-5-7-12(15)8-6-11)17-10-13-4-3-9-16-13/h3-9,16-17H,10H2,1-2H3
InChIKeyCQZCCUKKXXRMFG-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine

2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine (PubChem CID 62327708) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
PubChem CID62327708
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1ccc[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2/c1-14(2,11-5-7-12(15)8-6-11)17-10-13-4-3-9-16-13/h3-9,16-17H,10H2,1-2H3
InChIKeyCQZCCUKKXXRMFG-UHFFFAOYSA-N
XLogP3.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine (CID 62327708) is 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine is CC(C)(NCc1ccc[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
The InChIKey is CQZCCUKKXXRMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-14(2,11-5-7-12(15)8-6-11)17-10-13-4-3-9-16-13/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine has a molecular weight of 293.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62327708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).