N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine

C16H26BrNO3 — CID 103524430

IUPACN-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C16H26BrNO3/c1-6-9-18-13(10-21-11(2)3)12-7-8-14(19-4)15(17)16(12)20-5/h7-8,11,13,18H,6,9-10H2,1-5H3
InChIKeyHHALBPZVNSFCDH-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.93
Rot. Bonds9

About N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 103524430) has the molecular formula C16H26BrNO3 and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID103524430
Molecular FormulaC16H26BrNO3
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC NameN-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C16H26BrNO3/c1-6-9-18-13(10-21-11(2)3)12-7-8-14(19-4)15(17)16(12)20-5/h7-8,11,13,18H,6,9-10H2,1-5H3
InChIKeyHHALBPZVNSFCDH-UHFFFAOYSA-N
XLogP3.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
N-[1-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013061
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 103523415
[2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethyl]hydrazine
CID 105323684
1-(3-bromo-2,4-dimethoxyphenyl)-2-(propylamino)ethanol
CID 103524083
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 103523550
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-propan-2-ylsulfanylethanamine
CID 103523381
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
1-(3-bromo-2,4-dimethoxyphenyl)-2,2-diethoxy-N-methylethanamine
CID 103523455
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine (CID 103524430) is N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is HHALBPZVNSFCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO3/c1-6-9-18-13(10-21-11(2)3)12-7-8-14(19-4)15(17)16(12)20-5/h7-8,11,13,18H,6,9-10H2,1-5H3.
What are the key properties of N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 360.29 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 103524430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).