N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine

C15H24BrN3 — CID 55004344

IUPACN-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2c(N)cccc2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-3-19-9-7-12(8-10-19)18(2)11-13-14(16)5-4-6-15(13)17/h4-6,12H,3,7-11,17H2,1-2H3
InChIKeyHTSIFRSDNJGAID-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.95
Rot. Bonds4

About N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine

N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 55004344) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID55004344
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2c(N)cccc2Br)CC1
InChIInChI=1S/C15H24BrN3/c1-3-19-9-7-12(8-10-19)18(2)11-13-14(16)5-4-6-15(13)17/h4-6,12H,3,7-11,17H2,1-2H3
InChIKeyHTSIFRSDNJGAID-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 55004344) is N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)Cc2c(N)cccc2Br)CC1.
What is the InChIKey of N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is HTSIFRSDNJGAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-19-9-7-12(8-10-19)18(2)11-13-14(16)5-4-6-15(13)17/h4-6,12H,3,7-11,17H2,1-2H3.
What are the key properties of N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 55004344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).