2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine

C15H17ClN2O — CID 61418078

IUPAC2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
SMILESCOc1cccc(CN(C)c2ccnc(CCl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-18(14-6-7-17-13(9-14)10-16)11-12-4-3-5-15(8-12)19-2/h3-9H,10-11H2,1-2H3
InChIKeyFTGNSVYUIVULHF-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.47
Rot. Bonds5

About 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine

2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 61418078) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
PubChem CID61418078
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
SMILESCOc1cccc(CN(C)c2ccnc(CCl)c2)c1
InChIInChI=1S/C15H17ClN2O/c1-18(14-6-7-17-13(9-14)10-16)11-12-4-3-5-15(8-12)19-2/h3-9H,10-11H2,1-2H3
InChIKeyFTGNSVYUIVULHF-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

2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
N-[(2-hydrazinyl-4-pyridinyl)methyl]-3-methoxy-N-methylaniline
CID 62471694
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
N,N-bis[(3-methoxyphenyl)methyl]-2-[2-(2-phenylmethoxyethoxy)ethoxymethyl]pyridin-4-amine
CID 167465242

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine (CID 61418078) is 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine is COc1cccc(CN(C)c2ccnc(CCl)c2)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is FTGNSVYUIVULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(14-6-7-17-13(9-14)10-16)11-12-4-3-5-15(8-12)19-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine?
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-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 2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 61418078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).