N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine

C13H20BrN — CID 66436074

IUPACN-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-10(2)8-15-9-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyCWDBDRQFMVBPAM-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine

N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 66436074) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
PubChem CID66436074
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-10(2)8-15-9-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyCWDBDRQFMVBPAM-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79448646
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CID 82930865
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
N-[2-(2-bromophenyl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 79448721
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
3-(2-bromophenyl)-N-methylbutan-1-amine
CID 83693034
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
1-bromo-2-heptan-2-ylbenzene
CID 59216916
1-bromo-2-hex-4-yn-2-ylbenzene
CID 83924125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine (CID 66436074) is N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is CWDBDRQFMVBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-10(2)8-15-9-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine?
N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66436074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).