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

C13H20BrN — CID 79298620

IUPAC2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-9(2)13(15-4)10(3)11-5-7-12(14)8-6-11/h5-10,13,15H,1-4H3
InChIKeyQAEICCLHUKAALR-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.80
Rot. Bonds4

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

2-(4-bromophenyl)-N,4-dimethylpentan-3-amine (PubChem CID 79298620) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
PubChem CID79298620
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
SMILESCNC(C(C)C)C(C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrN/c1-9(2)13(15-4)10(3)11-5-7-12(14)8-6-11/h5-10,13,15H,1-4H3
InChIKeyQAEICCLHUKAALR-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N,4-dimethylpentan-3-amine
CID 79299366
N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
CID 79298066
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
CID 114282261
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667
1-bromo-4-(1-chloro-2-methylpropyl)benzene
CID 63428554
2-(4-bromophenyl)-2-(methylamino)acetaldehyde
CID 116954131
ethane;methyl 3-(4-bromophenyl)-2-methylbutanoate
CID 142474459
1-(4-bromophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482469

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine (CID 79298620) is 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine is CNC(C(C)C)C(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine?
The InChIKey is QAEICCLHUKAALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-9(2)13(15-4)10(3)11-5-7-12(14)8-6-11/h5-10,13,15H,1-4H3.
What are the key properties of 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine?
2-(4-bromophenyl)-N,4-dimethylpentan-3-amine has a molecular weight of 270.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 79298620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).