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

C15H24BrNO — CID 105044410

IUPAC1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(Br)c1)C(C)CCOC
InChIInChI=1S/C15H24BrNO/c1-5-17-15(12(3)8-9-18-4)13-7-6-11(2)14(16)10-13/h6-7,10,12,15,17H,5,8-9H2,1-4H3
InChIKeyDKRANDOFAFHOBZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.08
Rot. Bonds7

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

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044410) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
PubChem CID105044410
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(Br)c1)C(C)CCOC
InChIInChI=1S/C15H24BrNO/c1-5-17-15(12(3)8-9-18-4)13-7-6-11(2)14(16)10-13/h6-7,10,12,15,17H,5,8-9H2,1-4H3
InChIKeyDKRANDOFAFHOBZ-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105260868
1-(4-bromo-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044722
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
CID 105402863
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (CID 105044410) is 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is CCNC(c1ccc(C)c(Br)c1)C(C)CCOC.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The InChIKey is DKRANDOFAFHOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-17-15(12(3)8-9-18-4)13-7-6-11(2)14(16)10-13/h6-7,10,12,15,17H,5,8-9H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).