3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C15H23BrN2O — CID 82858001

IUPAC3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCOc1cc(Br)cc(NC(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H23BrN2O/c1-11(12-4-6-18(2)7-5-12)17-14-8-13(16)9-15(10-14)19-3/h8-12,17H,4-7H2,1-3H3
InChIKeyYWAGOCMBWUCCLH-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.60
Rot. Bonds4

About 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 82858001) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID82858001
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCOc1cc(Br)cc(NC(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H23BrN2O/c1-11(12-4-6-18(2)7-5-12)17-14-8-13(16)9-15(10-14)19-3/h8-12,17H,4-7H2,1-3H3
InChIKeyYWAGOCMBWUCCLH-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
3-fluoro-5-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 79054955
3,5-dichloro-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 107572964
2-(3-bromo-5-methoxyanilino)-2-cyclopropylacetic acid
CID 103262074
3-bromo-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 115929850
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43698690
4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43716710
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 82858001) is 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is COc1cc(Br)cc(NC(C)C2CCN(C)CC2)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is YWAGOCMBWUCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(12-4-6-18(2)7-5-12)17-14-8-13(16)9-15(10-14)19-3/h8-12,17H,4-7H2,1-3H3.
What are the key properties of 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 327.27 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 82858001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).