N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine

C17H22BrN3 — CID 62292841

IUPACN-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C17H22BrN3/c1-3-11-19-12-15-8-6-10-17(20-15)21(2)13-14-7-4-5-9-16(14)18/h4-10,19H,3,11-13H2,1-2H3
InChIKeyASHSYPOJWKSISJ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.98
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine

N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine (PubChem CID 62292841) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
PubChem CID62292841
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C17H22BrN3/c1-3-11-19-12-15-8-6-10-17(20-15)21(2)13-14-7-4-5-9-16(14)18/h4-10,19H,3,11-13H2,1-2H3
InChIKeyASHSYPOJWKSISJ-UHFFFAOYSA-N
XLogP3.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62292840
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62282523
6-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 63962798
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 62280099
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66449274
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794398
N-butyl-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 62286174

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine (CID 62292841) is N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccc(N(C)Cc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine?
The InChIKey is ASHSYPOJWKSISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-3-11-19-12-15-8-6-10-17(20-15)21(2)13-14-7-4-5-9-16(14)18/h4-10,19H,3,11-13H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine?
N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine has a molecular weight of 348.29 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62292841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).