1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine

C17H27BrN2O — CID 102958978

IUPAC1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C17H27BrN2O/c1-5-19-13(3)15-10-14(18)6-7-16(15)20-9-8-12(2)17(11-20)21-4/h6-7,10,12-13,17,19H,5,8-9,11H2,1-4H3
InChIKeyBCGFPSLPRVMBJP-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.98
Rot. Bonds5

About 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine

1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine (PubChem CID 102958978) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
PubChem CID102958978
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C17H27BrN2O/c1-5-19-13(3)15-10-14(18)6-7-16(15)20-9-8-12(2)17(11-20)21-4/h6-7,10,12-13,17,19H,5,8-9,11H2,1-4H3
InChIKeyBCGFPSLPRVMBJP-UHFFFAOYSA-N
XLogP3.98
TPSA24.50 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 103534496
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958984
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
N-[1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 103534460
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
N-[1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82971808
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 82968326
1-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 82955648

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine (CID 102958978) is 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1N1CCC(C)C(OC)C1.
What is the InChIKey of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is BCGFPSLPRVMBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-19-13(3)15-10-14(18)6-7-16(15)20-9-8-12(2)17(11-20)21-4/h6-7,10,12-13,17,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 355.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102958978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).