N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine

C14H22BrN3 — CID 79713286

IUPACN-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(Br)cc2N)C1
InChIInChI=1S/C14H22BrN3/c1-17-7-3-4-13(10-17)18(2)9-11-5-6-12(15)8-14(11)16/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3
InChIKeyDGEUVMFQGYJMDW-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.56
Rot. Bonds3

About N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 79713286) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID79713286
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2ccc(Br)cc2N)C1
InChIInChI=1S/C14H22BrN3/c1-17-7-3-4-13(10-17)18(2)9-11-5-6-12(15)8-14(11)16/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3
InChIKeyDGEUVMFQGYJMDW-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 63782253
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
methyl 3-bromo-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzoate
CID 102767577
5-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]aniline
CID 79712715
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 117038718
3-chloro-N'-hydroxy-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 102666920
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine (CID 79713286) is N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2ccc(Br)cc2N)C1.
What is the InChIKey of N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is DGEUVMFQGYJMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-17-7-3-4-13(10-17)18(2)9-11-5-6-12(15)8-14(11)16/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 312.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 79713286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).