1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine

C16H25BrN2 — CID 62908518

IUPAC1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1CCCN(c2ccc(C(C)NC)cc2Br)C1
InChIInChI=1S/C16H25BrN2/c1-4-13-6-5-9-19(11-13)16-8-7-14(10-15(16)17)12(2)18-3/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3
InChIKeyCMJVMBFBZQJVGW-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.36
Rot. Bonds4

About 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine

1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 62908518) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine
PubChem CID62908518
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1CCCN(c2ccc(C(C)NC)cc2Br)C1
InChIInChI=1S/C16H25BrN2/c1-4-13-6-5-9-19(11-13)16-8-7-14(10-15(16)17)12(2)18-3/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3
InChIKeyCMJVMBFBZQJVGW-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-ethylpiperidin-1-yl)phenyl]-N-methylethanamine 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-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 62908297
1-[3-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]-N-methylethanamine
CID 63170291
1-[3-bromo-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylethanamine
CID 62974132
1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 62909668
1-[3-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 66391336
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]ethanone
CID 62910168
N-[1-[3-bromo-4-(3-methoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 102959023
3-bromo-4-(3-ethylpiperidin-1-yl)benzenecarbothioamide
CID 82805181
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine (CID 62908518) is 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine is CCC1CCCN(c2ccc(C(C)NC)cc2Br)C1.
What is the InChIKey of 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is CMJVMBFBZQJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-13-6-5-9-19(11-13)16-8-7-14(10-15(16)17)12(2)18-3/h7-8,10,12-13,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine?
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]-N-methylethanamine 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-ethylpiperidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 62908518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).