3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol

C23H24ClNO2 — CID 132505181

IUPAC3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol
SMILESOC1OCCC1CN(Cc1ccc(Cl)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C23H24ClNO2/c24-21-10-8-17(9-11-21)14-25(16-20-12-13-27-23(20)26)15-19-6-3-5-18-4-1-2-7-22(18)19/h1-11,20,23,26H,12-16H2
InChIKeySIEFERGFTCKLHU-UHFFFAOYSA-N
MW381.90 g/mol
LogP4.85
Rot. Bonds6

About 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol

3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol (PubChem CID 132505181) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol
PubChem CID132505181
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol
SMILESOC1OCCC1CN(Cc1ccc(Cl)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C23H24ClNO2/c24-21-10-8-17(9-11-21)14-25(16-20-12-13-27-23(20)26)15-19-6-3-5-18-4-1-2-7-22(18)19/h1-11,20,23,26H,12-16H2
InChIKeySIEFERGFTCKLHU-UHFFFAOYSA-N
XLogP4.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol?
The IUPAC name of 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol (CID 132505181) is 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol.
What is the SMILES notation for 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol?
The canonical SMILES for 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol is OC1OCCC1CN(Cc1ccc(Cl)cc1)Cc1cccc2ccccc12.
What is the InChIKey of 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol?
The InChIKey is SIEFERGFTCKLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c24-21-10-8-17(9-11-21)14-25(16-20-12-13-27-23(20)26)15-19-6-3-5-18-4-1-2-7-22(18)19/h1-11,20,23,26H,12-16H2.
What are the key properties of 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol?
3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol has a molecular weight of 381.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)methyl-(naphthalen-1-ylmethyl)amino]methyl]oxolan-2-ol is sourced from PubChem (CID 132505181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).