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N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine

C22H29ClN2O2 — CID 66537699

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1cc(CNCC2CCNCC2)c(Cl)cc1OCc1ccccc1C
InChIInChI=1S/C22H29ClN2O2/c1-16-5-3-4-6-18(16)15-27-22-12-20(23)19(11-21(22)26-2)14-25-13-17-7-9-24-10-8-17/h3-6,11-12,17,24-25H,7-10,13-15H2,1-2H3
InChIKeyGJOVKZDITNOFHE-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.33
Rot. Bonds8

About N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine

N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 66537699) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID66537699
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC NameN-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1cc(CNCC2CCNCC2)c(Cl)cc1OCc1ccccc1C
InChIInChI=1S/C22H29ClN2O2/c1-16-5-3-4-6-18(16)15-27-22-12-20(23)19(11-21(22)26-2)14-25-13-17-7-9-24-10-8-17/h3-6,11-12,17,24-25H,7-10,13-15H2,1-2H3
InChIKeyGJOVKZDITNOFHE-UHFFFAOYSA-N
XLogP4.33
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine (CID 66537699) is N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine is COc1cc(CNCC2CCNCC2)c(Cl)cc1OCc1ccccc1C.
What is the InChIKey of N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is GJOVKZDITNOFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-16-5-3-4-6-18(16)15-27-22-12-20(23)19(11-21(22)26-2)14-25-13-17-7-9-24-10-8-17/h3-6,11-12,17,24-25H,7-10,13-15H2,1-2H3.
What are the key properties of N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine?
N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 388.94 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 66537699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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