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

C14H22BrN — CID 63508774

IUPAC1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccc(Br)cc1)C(C)(C)CC
InChIInChI=1S/C14H22BrN/c1-5-14(3,4)13(16-6-2)11-7-9-12(15)10-8-11/h7-10,13,16H,5-6H2,1-4H3
InChIKeyFZWKYQTXDCRZBM-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.54
Rot. Bonds5

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

1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 63508774) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID63508774
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1ccc(Br)cc1)C(C)(C)CC
InChIInChI=1S/C14H22BrN/c1-5-14(3,4)13(16-6-2)11-7-9-12(15)10-8-11/h7-10,13,16H,5-6H2,1-4H3
InChIKeyFZWKYQTXDCRZBM-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 106764707
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 80534026
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
CID 62679358

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 63508774) is 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNC(c1ccc(Br)cc1)C(C)(C)CC.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is FZWKYQTXDCRZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-14(3,4)13(16-6-2)11-7-9-12(15)10-8-11/h7-10,13,16H,5-6H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine?
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.54, 5 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-dimethylbutan-1-amine is sourced from PubChem (CID 63508774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).