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

C16H26BrNO — CID 103031551

IUPAC1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-6-18-15(9-10-16(3,4)19-5)13-8-7-12(2)14(17)11-13/h7-8,11,15,18H,6,9-10H2,1-5H3
InChIKeyMWLLODNJQKHOAF-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.61
Rot. Bonds7

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

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031551) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031551
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H26BrNO/c1-6-18-15(9-10-16(3,4)19-5)13-8-7-12(2)14(17)11-13/h7-8,11,15,18H,6,9-10H2,1-5H3
InChIKeyMWLLODNJQKHOAF-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031415
1-(5-bromofuran-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031302
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 115800248
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031551) is 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is MWLLODNJQKHOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-18-15(9-10-16(3,4)19-5)13-8-7-12(2)14(17)11-13/h7-8,11,15,18H,6,9-10H2,1-5H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.61, 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-4-methylpentan-1-amine is sourced from PubChem (CID 103031551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).