1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine

C14H22BrN — CID 105017369

IUPAC1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(Br)c1)C(C)CC
InChIInChI=1S/C14H22BrN/c1-5-10(3)14(16-6-2)12-8-7-11(4)13(15)9-12/h7-10,14,16H,5-6H2,1-4H3
InChIKeyIZUUVLOQKZXYDT-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.45
Rot. Bonds5

About 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine

1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 105017369) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID105017369
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(Br)c1)C(C)CC
InChIInChI=1S/C14H22BrN/c1-5-10(3)14(16-6-2)12-8-7-11(4)13(15)9-12/h7-10,14,16H,5-6H2,1-4H3
InChIKeyIZUUVLOQKZXYDT-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
CID 105402863
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 107503886
1-(2-bromophenyl)-N-ethyl-2-methylbutan-1-amine
CID 79445957
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 115800248
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine (CID 105017369) is 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine is CCNC(c1ccc(C)c(Br)c1)C(C)CC.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is IZUUVLOQKZXYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-10(3)14(16-6-2)12-8-7-11(4)13(15)9-12/h7-10,14,16H,5-6H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine?
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 105017369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).