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

C13H20BrN — CID 62395894

IUPAC1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cccc(Br)c1)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-5-15-12(13(2,3)4)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3
InChIKeyFOMODOOGUUWANS-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.15
Rot. Bonds3

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

1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 62395894) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID62395894
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNC(c1cccc(Br)c1)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-5-15-12(13(2,3)4)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3
InChIKeyFOMODOOGUUWANS-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-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
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1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
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1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 62395894) is 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNC(c1cccc(Br)c1)C(C)(C)C.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is FOMODOOGUUWANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-5-15-12(13(2,3)4)10-7-6-8-11(14)9-10/h6-9,12,15H,5H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
1-(3-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-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62395894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).