N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine

C16H24BrClN2 — CID 66159756

IUPACN-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C16H24BrClN2/c1-3-8-19-11-12-5-4-9-20(2)16(12)14-10-13(18)6-7-15(14)17/h6-7,10,12,16,19H,3-5,8-9,11H2,1-2H3
InChIKeyLAMAFLNPWNKRAZ-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.49
Rot. Bonds5

About N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine

N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine (PubChem CID 66159756) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
PubChem CID66159756
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC NameN-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C16H24BrClN2/c1-3-8-19-11-12-5-4-9-20(2)16(12)14-10-13(18)6-7-15(14)17/h6-7,10,12,16,19H,3-5,8-9,11H2,1-2H3
InChIKeyLAMAFLNPWNKRAZ-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]ethanamine
CID 66159561
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
N-[[2-(5-chloro-2-fluorophenyl)-1-methylazepan-3-yl]methyl]ethanamine
CID 114866623
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
N-[[2-(3-chloro-4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 65021457
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 66158580
N-[[2-(3-bromothiophen-2-yl)-1-methylpyrrolidin-3-yl]methyl]propan-1-amine
CID 115381366
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 66159173
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine (CID 66159756) is N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(C)C1c1cc(Cl)ccc1Br.
What is the InChIKey of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine?
The InChIKey is LAMAFLNPWNKRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-3-8-19-11-12-5-4-9-20(2)16(12)14-10-13(18)6-7-15(14)17/h6-7,10,12,16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine?
N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine has a molecular weight of 359.74 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66159756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).