1-(4-bromophenyl)-N-ethylpentan-2-amine

C13H20BrN — CID 60819872

IUPAC1-(4-bromophenyl)-N-ethylpentan-2-amine
SMILESCCCC(Cc1ccc(Br)cc1)NCC
InChIInChI=1S/C13H20BrN/c1-3-5-13(15-4-2)10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyKBXMLGXFBNJYLE-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.77
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethylpentan-2-amine

1-(4-bromophenyl)-N-ethylpentan-2-amine (PubChem CID 60819872) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethylpentan-2-amine
PubChem CID60819872
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(4-bromophenyl)-N-ethylpentan-2-amine
SMILESCCCC(Cc1ccc(Br)cc1)NCC
InChIInChI=1S/C13H20BrN/c1-3-5-13(15-4-2)10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyKBXMLGXFBNJYLE-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
1-(4-bromophenyl)-N,4-diethylhexan-2-amine
CID 82920737
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
N-ethyl-1-(4-methylsulfonylphenyl)pentan-2-amine
CID 63198265
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethylpentan-2-amine (CID 60819872) is 1-(4-bromophenyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethylpentan-2-amine is CCCC(Cc1ccc(Br)cc1)NCC.
What is the InChIKey of 1-(4-bromophenyl)-N-ethylpentan-2-amine?
The InChIKey is KBXMLGXFBNJYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-3-5-13(15-4-2)10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-ethylpentan-2-amine?
1-(4-bromophenyl)-N-ethylpentan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 60819872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).