1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine

C16H25BrN2 — CID 62909668

IUPAC1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCCC(C)C2)c(Br)c1
InChIInChI=1S/C16H25BrN2/c1-4-18-13(3)14-7-8-16(15(17)10-14)19-9-5-6-12(2)11-19/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3
InChIKeyLIHIDHNCZRFURX-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.36
Rot. Bonds4

About 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine

1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine (PubChem CID 62909668) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
PubChem CID62909668
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCCC(C)C2)c(Br)c1
InChIInChI=1S/C16H25BrN2/c1-4-18-13(3)14-7-8-16(15(17)10-14)19-9-5-6-12(2)11-19/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3
InChIKeyLIHIDHNCZRFURX-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine 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

1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958895
N-[1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethyl]propan-1-amine
CID 63622984
1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958984
N-[1-[3-bromo-4-(3-methoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 102959023
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62908518
1-[3-bromo-4-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylethanamine
CID 62909723
1-[3-bromo-4-(4-ethylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 62908315
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533117
4-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-1-methylpiperazin-2-one
CID 64693647
1-[1-[2-bromo-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 115965448

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine (CID 62909668) is 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(N2CCCC(C)C2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is LIHIDHNCZRFURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-18-13(3)14-7-8-16(15(17)10-14)19-9-5-6-12(2)11-19/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine?
1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 325.29 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 62909668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).