N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine

C15H23BrN2 — CID 63643987

IUPACN-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
SMILESCCN(C1CCCNC1)C(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-3-18(15-8-5-9-17-11-15)12(2)13-6-4-7-14(16)10-13/h4,6-7,10,12,15,17H,3,5,8-9,11H2,1-2H3
InChIKeyICBZMXQJOBVNDK-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine

N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine (PubChem CID 63643987) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
PubChem CID63643987
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine
SMILESCCN(C1CCCNC1)C(C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-3-18(15-8-5-9-17-11-15)12(2)13-6-4-7-14(16)10-13/h4,6-7,10,12,15,17H,3,5,8-9,11H2,1-2H3
InChIKeyICBZMXQJOBVNDK-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-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

N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 55250096
N-[1-(3-bromophenyl)ethyl]-N-methylazepan-4-amine
CID 107172110
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
CID 107711416
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299369
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
CID 66183997
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine (CID 63643987) is N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine is CCN(C1CCCNC1)C(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine?
The InChIKey is ICBZMXQJOBVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-18(15-8-5-9-17-11-15)12(2)13-6-4-7-14(16)10-13/h4,6-7,10,12,15,17H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine?
N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine has a molecular weight of 311.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 63643987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).