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

C16H25BrN2 — CID 43307483

IUPAC2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
SMILESCCN1CCCC(C(C)Nc2ccc(C)cc2Br)C1
InChIInChI=1S/C16H25BrN2/c1-4-19-9-5-6-14(11-19)13(3)18-16-8-7-12(2)10-15(16)17/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyGJRMJVUUXHSONU-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.29
Rot. Bonds4

About 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline

2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline (PubChem CID 43307483) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
PubChem CID43307483
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
SMILESCCN1CCCC(C(C)Nc2ccc(C)cc2Br)C1
InChIInChI=1S/C16H25BrN2/c1-4-19-9-5-6-14(11-19)13(3)18-16-8-7-12(2)10-15(16)17/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyGJRMJVUUXHSONU-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline 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

2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 81263958
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
CID 43716961
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
CID 102853203
4-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-nitroaniline
CID 43746560
4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
CID 107632479
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 104722437
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-fluoro-4-methylaniline
CID 43308622

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline (CID 43307483) is 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline is CCN1CCCC(C(C)Nc2ccc(C)cc2Br)C1.
What is the InChIKey of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline?
The InChIKey is GJRMJVUUXHSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-19-9-5-6-14(11-19)13(3)18-16-8-7-12(2)10-15(16)17/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline?
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline has a molecular weight of 325.29 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 43307483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).