4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine

C15H17BrN2O — CID 139548865

IUPAC4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2cc(CBr)ccn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-18(15-9-13(10-16)7-8-17-15)11-12-3-5-14(19-2)6-4-12/h3-9H,10-11H2,1-2H3
InChIKeyPVQHNDLYYQIWCG-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.62
Rot. Bonds5

About 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine

4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 139548865) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID139548865
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2cc(CBr)ccn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-18(15-9-13(10-16)7-8-17-15)11-12-3-5-14(19-2)6-4-12/h3-9H,10-11H2,1-2H3
InChIKeyPVQHNDLYYQIWCG-UHFFFAOYSA-N
XLogP3.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
[4-(bromomethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294574
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
N-[(4-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 165435434
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80794827
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 164934740
[4-(2-hydroxyethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294550

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 139548865) is 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1ccc(CN(C)c2cc(CBr)ccn2)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is PVQHNDLYYQIWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(15-9-13(10-16)7-8-17-15)11-12-3-5-14(19-2)6-4-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 139548865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).