1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine

C16H26BrNO — CID 115817634

IUPAC1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1OC)C(C)C(C)C
InChIInChI=1S/C16H26BrNO/c1-6-18-15(12(4)11(2)3)10-13-9-14(17)7-8-16(13)19-5/h7-9,11-12,15,18H,6,10H2,1-5H3
InChIKeyBCQCGKOWHALGDF-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.27
Rot. Bonds7

About 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine

1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine (PubChem CID 115817634) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
PubChem CID115817634
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1OC)C(C)C(C)C
InChIInChI=1S/C16H26BrNO/c1-6-18-15(12(4)11(2)3)10-13-9-14(17)7-8-16(13)19-5/h7-9,11-12,15,18H,6,10H2,1-5H3
InChIKeyBCQCGKOWHALGDF-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115817423
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115816995
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115816951
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine (CID 115817634) is 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine is CCNC(Cc1cc(Br)ccc1OC)C(C)C(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
The InChIKey is BCQCGKOWHALGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-6-18-15(12(4)11(2)3)10-13-9-14(17)7-8-16(13)19-5/h7-9,11-12,15,18H,6,10H2,1-5H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine?
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 115817634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).