1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C13H20BrN — CID 43488631

IUPAC1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-5-15-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12,15H,5H2,1-4H3
InChIKeyGKBQTAFWCFXANB-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.15
Rot. Bonds3

About 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 43488631) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID43488631
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-5-15-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12,15H,5H2,1-4H3
InChIKeyGKBQTAFWCFXANB-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

1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
4-[1-(ethylamino)-2,2-dimethylpropyl]benzenesulfonic acid
CID 139351120
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747
1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol
CID 116957168

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 43488631) is 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1ccc(Br)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is GKBQTAFWCFXANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-5-15-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12,15H,5H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(4-bromophenyl)-N-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 1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43488631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).