1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine

C17H27BrN2O — CID 102956189

IUPAC1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccc1Br)N1CCC(C)C(OC)C1
InChIInChI=1S/C17H27BrN2O/c1-4-15(19)17(13-7-5-6-8-14(13)18)20-10-9-12(2)16(11-20)21-3/h5-8,12,15-17H,4,9-11,19H2,1-3H3
InChIKeyXGFQYSFHRDFWIS-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine

1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine (PubChem CID 102956189) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
PubChem CID102956189
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccc1Br)N1CCC(C)C(OC)C1
InChIInChI=1S/C17H27BrN2O/c1-4-15(19)17(13-7-5-6-8-14(13)18)20-10-9-12(2)16(11-20)21-3/h5-8,12,15-17H,4,9-11,19H2,1-3H3
InChIKeyXGFQYSFHRDFWIS-UHFFFAOYSA-N
XLogP3.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 63605563
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine (CID 102956189) is 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine is CCC(N)C(c1ccccc1Br)N1CCC(C)C(OC)C1.
What is the InChIKey of 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
The InChIKey is XGFQYSFHRDFWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-15(19)17(13-7-5-6-8-14(13)18)20-10-9-12(2)16(11-20)21-3/h5-8,12,15-17H,4,9-11,19H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine has a molecular weight of 355.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 102956189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).