5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine

C15H17ClN2O — CID 61418221

IUPAC5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ccc(CCl)cn1
InChIInChI=1S/C15H17ClN2O/c1-18(15-8-7-12(9-16)10-17-15)11-13-5-3-4-6-14(13)19-2/h3-8,10H,9,11H2,1-2H3
InChIKeyOMKJRNBFWALURO-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.47
Rot. Bonds5

About 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine

5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 61418221) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID61418221
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ccc(CCl)cn1
InChIInChI=1S/C15H17ClN2O/c1-18(15-8-7-12(9-16)10-17-15)11-13-5-3-4-6-14(13)19-2/h3-8,10H,9,11H2,1-2H3
InChIKeyOMKJRNBFWALURO-UHFFFAOYSA-N
XLogP3.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.47
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

5-(ethylaminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 62294445
5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 61256200
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
5-(chloromethyl)-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 55114023
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
CID 66466375
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630731
N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 171324333

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 61418221) is 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1ccccc1CN(C)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is OMKJRNBFWALURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(15-8-7-12(9-16)10-17-15)11-13-5-3-4-6-14(13)19-2/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 61418221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).