1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine

C14H22BrNO2 — CID 116715439

IUPAC1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1ccc(OC)c(Br)c1)NC
InChIInChI=1S/C14H22BrNO2/c1-5-13(17-3)12(16-2)9-10-6-7-14(18-4)11(15)8-10/h6-8,12-13,16H,5,9H2,1-4H3
InChIKeyFNMFIRJNCJMZFQ-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.01
Rot. Bonds7

About 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine

1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 116715439) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
PubChem CID116715439
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(Cc1ccc(OC)c(Br)c1)NC
InChIInChI=1S/C14H22BrNO2/c1-5-13(17-3)12(16-2)9-10-6-7-14(18-4)11(15)8-10/h6-8,12-13,16H,5,9H2,1-4H3
InChIKeyFNMFIRJNCJMZFQ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725554
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 63412972

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine (CID 116715439) is 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine is CCC(OC)C(Cc1ccc(OC)c(Br)c1)NC.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is FNMFIRJNCJMZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-5-13(17-3)12(16-2)9-10-6-7-14(18-4)11(15)8-10/h6-8,12-13,16H,5,9H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine?
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 316.24 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 116715439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).