4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine

C13H20BrN — CID 60995739

IUPAC4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(C)C(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-4-15-11(3)10(2)9-12-5-7-13(14)8-6-12/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyWBDJLSHNRXDSIV-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.63
Rot. Bonds5

About 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine

4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine (PubChem CID 60995739) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
PubChem CID60995739
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(C)C(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-4-15-11(3)10(2)9-12-5-7-13(14)8-6-12/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyWBDJLSHNRXDSIV-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-(4-Bromophenyl)ethyl](methyl)amine
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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine (CID 60995739) is 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine is CCNC(C)C(C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine?
The InChIKey is WBDJLSHNRXDSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-15-11(3)10(2)9-12-5-7-13(14)8-6-12/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine?
4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-ethyl-3-methylbutan-2-amine is sourced from PubChem (CID 60995739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).