N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine

C13H20BrN — CID 61166809

IUPACN-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-10(15-9-13(2,3)4)11-6-5-7-12(14)8-11/h5-8,10,15H,9H2,1-4H3
InChIKeyWJLDIKHAVOZEJY-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.15
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine

N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 61166809) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
PubChem CID61166809
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-10(15-9-13(2,3)4)11-6-5-7-12(14)8-11/h5-8,10,15H,9H2,1-4H3
InChIKeyWJLDIKHAVOZEJY-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366
5-[1-(3-bromophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489727
methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 113436572
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]but-2-en-1-amine
CID 107899131
N-[(1R)-1-(3-bromophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513834
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
CID 115605352

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine (CID 61166809) is N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine is CC(NCC(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is WJLDIKHAVOZEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-10(15-9-13(2,3)4)11-6-5-7-12(14)8-11/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine?
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61166809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).