N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine

C17H26BrNO2 — CID 65333922

IUPACN-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C1CCCOC1
InChIInChI=1S/C17H26BrNO2/c1-3-8-19-16(13-5-4-9-21-12-13)11-14-10-15(18)6-7-17(14)20-2/h6-7,10,13,16,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyWYWMXKAUQQSHLK-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.80
Rot. Bonds7

About N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine

N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine (PubChem CID 65333922) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
PubChem CID65333922
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1OC)C1CCCOC1
InChIInChI=1S/C17H26BrNO2/c1-3-8-19-16(13-5-4-9-21-12-13)11-14-10-15(18)6-7-17(14)20-2/h6-7,10,13,16,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyWYWMXKAUQQSHLK-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
N-[1-(oxan-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 65331659
3-[(5-bromo-2-methoxyphenyl)-chloromethyl]oxane
CID 63015273
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
N-[(5-bromo-2-chlorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107138915
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine (CID 65333922) is N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)ccc1OC)C1CCCOC1.
What is the InChIKey of N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
The InChIKey is WYWMXKAUQQSHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-8-19-16(13-5-4-9-21-12-13)11-14-10-15(18)6-7-17(14)20-2/h6-7,10,13,16,19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65333922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).