1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine

C14H22BrN — CID 43488677

IUPAC1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN/c1-5-16-13(10-14(2,3)4)11-6-8-12(15)9-7-11/h6-9,13,16H,5,10H2,1-4H3
InChIKeyWXJIHHQYKMVRQE-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 43488677) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID43488677
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN/c1-5-16-13(10-14(2,3)4)11-6-8-12(15)9-7-11/h6-9,13,16H,5,10H2,1-4H3
InChIKeyWXJIHHQYKMVRQE-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63019719
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43488624
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 43488677) is 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is WXJIHHQYKMVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-16-13(10-14(2,3)4)11-6-8-12(15)9-7-11/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.54, 4 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-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 43488677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).