5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine

C15H24BrN — CID 64717647

IUPAC5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-5-17-12(2)10-15(3,4)11-13-7-6-8-14(16)9-13/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyIVMLGMRGMYEPEB-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.41
Rot. Bonds6

About 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine

5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 64717647) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID64717647
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-5-17-12(2)10-15(3,4)11-13-7-6-8-14(16)9-13/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyIVMLGMRGMYEPEB-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
5-(3-bromophenyl)-N,4,4-trimethylpentan-2-amine
CID 64715737
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
1-bromo-3-(4-bromo-2,2-dimethylpentyl)benzene
CID 64718331
4-(3-bromophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81022084
5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768
5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 79712186
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine (CID 64717647) is 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(C)CC(C)(C)Cc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is IVMLGMRGMYEPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-17-12(2)10-15(3,4)11-13-7-6-8-14(16)9-13/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine?
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 64717647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).