N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride

C21H22ClN2O2- — CID 53350927

IUPACN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
SMILESCOc1cccc(CNCc2cccnc2)c1OCc1ccccc1.[Cl-]
InChIInChI=1S/C21H22N2O2.ClH/c1-24-20-11-5-10-19(15-23-14-18-9-6-12-22-13-18)21(20)25-16-17-7-3-2-4-8-17;/h2-13,23H,14-16H2,1H3;1H/p-1
InChIKeyQKXDMBTVLRUOPJ-UHFFFAOYSA-M
MW369.87 g/mol
LogP0.96
Rot. Bonds8

About N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride (PubChem CID 53350927) has the molecular formula C21H22ClN2O2- and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride.

Molecular Properties

Compound NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
PubChem CID53350927
Molecular FormulaC21H22ClN2O2-
Molecular Weight369.87 g/mol
Exact Mass369.14
IUPAC NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
SMILESCOc1cccc(CNCc2cccnc2)c1OCc1ccccc1.[Cl-]
InChIInChI=1S/C21H22N2O2.ClH/c1-24-20-11-5-10-19(15-23-14-18-9-6-12-22-13-18)21(20)25-16-17-7-3-2-4-8-17;/h2-13,23H,14-16H2,1H3;1H/p-1
InChIKeyQKXDMBTVLRUOPJ-UHFFFAOYSA-M
XLogP0.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17157325
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66535478
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162182
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
The IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride (CID 53350927) is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride.
What is the SMILES notation for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
The canonical SMILES for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride is COc1cccc(CNCc2cccnc2)c1OCc1ccccc1.[Cl-].
What is the InChIKey of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
The InChIKey is QKXDMBTVLRUOPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22N2O2.ClH/c1-24-20-11-5-10-19(15-23-14-18-9-6-12-22-13-18)21(20)25-16-17-7-3-2-4-8-17;/h2-13,23H,14-16H2,1H3;1H/p-1.
What are the key properties of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride has a molecular weight of 369.87 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride is sourced from PubChem (CID 53350927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).