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

C21H23ClN2O2 — CID 2949886

IUPACN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
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
InChIKeyQKXDMBTVLRUOPJ-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.38
Rot. Bonds8

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

N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride (PubChem CID 2949886) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
PubChem CID2949886
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
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
InChIKeyQKXDMBTVLRUOPJ-UHFFFAOYSA-N
XLogP4.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride (CID 2949886) is N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride is COc1cccc(CNCc2cccnc2)c1OCc1ccccc1.Cl.
What is the InChIKey of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
The InChIKey is QKXDMBTVLRUOPJ-UHFFFAOYSA-N. 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.
What are the key properties of N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride?
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 4.38, 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;hydrochloride is sourced from PubChem (CID 2949886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).