N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine

C17H28BrN3 — CID 82955224

IUPACN-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
SMILESCCNC(C)c1cc(Br)ccc1N(C)C1CCCN(C)C1
InChIInChI=1S/C17H28BrN3/c1-5-19-13(2)16-11-14(18)8-9-17(16)21(4)15-7-6-10-20(3)12-15/h8-9,11,13,15,19H,5-7,10,12H2,1-4H3
InChIKeyCIBIVRPFULFRDY-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.65
Rot. Bonds5

About N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine

N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 82955224) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
PubChem CID82955224
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC NameN-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
SMILESCCNC(C)c1cc(Br)ccc1N(C)C1CCCN(C)C1
InChIInChI=1S/C17H28BrN3/c1-5-19-13(2)16-11-14(18)8-9-17(16)21(4)15-7-6-10-20(3)12-15/h8-9,11,13,15,19H,5-7,10,12H2,1-4H3
InChIKeyCIBIVRPFULFRDY-UHFFFAOYSA-N
XLogP3.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine 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-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
N-[2-(1-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 82968010
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 63782253
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 82972044
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine (CID 82955224) is N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine is CCNC(C)c1cc(Br)ccc1N(C)C1CCCN(C)C1.
What is the InChIKey of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is CIBIVRPFULFRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-5-19-13(2)16-11-14(18)8-9-17(16)21(4)15-7-6-10-20(3)12-15/h8-9,11,13,15,19H,5-7,10,12H2,1-4H3.
What are the key properties of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine?
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 354.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 82955224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).