4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C14H15ClN2O — CID 65026028

IUPAC4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(CCl)cc2)n1
InChIInChI=1S/C14H15ClN2O/c1-18-14-4-2-3-13(17-14)10-16-12-7-5-11(9-15)6-8-12/h2-8,16H,9-10H2,1H3
InChIKeyOVPMMIHXXADDKA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.44
Rot. Bonds5

About 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline

4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 65026028) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID65026028
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(CCl)cc2)n1
InChIInChI=1S/C14H15ClN2O/c1-18-14-4-2-3-13(17-14)10-16-12-7-5-11(9-15)6-8-12/h2-8,16H,9-10H2,1H3
InChIKeyOVPMMIHXXADDKA-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 65026847
6-(2-methoxyethoxy)-N-[(6-methoxy-2-pyridinyl)methyl]pyridin-3-amine
CID 103347504
2-[4-[(6-methoxy-2-pyridinyl)methylamino]phenoxy]acetamide
CID 103347536
3-chloro-4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347663
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-4-amine
CID 79769857
N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103347471
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 65026028) is 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2ccc(CCl)cc2)n1.
What is the InChIKey of 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is OVPMMIHXXADDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-14-4-2-3-13(17-14)10-16-12-7-5-11(9-15)6-8-12/h2-8,16H,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline has a molecular weight of 262.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 65026028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).