4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline

C16H25BrN2O — CID 82857817

IUPAC4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
SMILESCCN1CCC(C(C)Nc2ccc(Br)c(OC)c2)CC1
InChIInChI=1S/C16H25BrN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-15(17)16(11-14)20-3/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyCICUHGVYHIPNJI-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.99
Rot. Bonds5

About 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline

4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline (PubChem CID 82857817) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
PubChem CID82857817
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
SMILESCCN1CCC(C(C)Nc2ccc(Br)c(OC)c2)CC1
InChIInChI=1S/C16H25BrN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-15(17)16(11-14)20-3/h5-6,11-13,18H,4,7-10H2,1-3H3
InChIKeyCICUHGVYHIPNJI-UHFFFAOYSA-N
XLogP3.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
4-bromo-N-heptan-4-yl-3-methoxyaniline
CID 82858432
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
5-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-fluorobenzonitrile
CID 62316616
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indol-6-amine
CID 174414194
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43307549

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline (CID 82857817) is 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline is CCN1CCC(C(C)Nc2ccc(Br)c(OC)c2)CC1.
What is the InChIKey of 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
The InChIKey is CICUHGVYHIPNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-19-9-7-13(8-10-19)12(2)18-14-5-6-15(17)16(11-14)20-3/h5-6,11-13,18H,4,7-10H2,1-3H3.
What are the key properties of 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline?
4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline has a molecular weight of 341.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 82857817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).