N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine

C15H17ClN2O — CID 106862632

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2ccc(C)cc2Cl)ccn1
InChIInChI=1S/C15H17ClN2O/c1-11-3-4-13(14(16)7-11)10-17-9-12-5-6-18-15(8-12)19-2/h3-8,17H,9-10H2,1-2H3
InChIKeyLVBQAQCLTFIVNB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.34
Rot. Bonds5

About N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine

N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine (PubChem CID 106862632) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
PubChem CID106862632
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2ccc(C)cc2Cl)ccn1
InChIInChI=1S/C15H17ClN2O/c1-11-3-4-13(14(16)7-11)10-17-9-12-5-6-18-15(8-12)19-2/h3-8,17H,9-10H2,1-2H3
InChIKeyLVBQAQCLTFIVNB-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
N-[(2-chloro-5-nitrophenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62316745
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784
N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
CID 80700524
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine (CID 106862632) is N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine is COc1cc(CNCc2ccc(C)cc2Cl)ccn1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The InChIKey is LVBQAQCLTFIVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-3-4-13(14(16)7-11)10-17-9-12-5-6-18-15(8-12)19-2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine has a molecular weight of 276.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 106862632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).