N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine

C18H21NO — CID 79367575

IUPACN-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
SMILESCNCC1CCOC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-19-13-17-11-12-20-18(17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3
InChIKeyCWXDYWRUKXKLDC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.65
Rot. Bonds4

About N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine

N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine (PubChem CID 79367575) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
PubChem CID79367575
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
SMILESCNCC1CCOC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-19-13-17-11-12-20-18(17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3
InChIKeyCWXDYWRUKXKLDC-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine (CID 79367575) is N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine is CNCC1CCOC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine?
The InChIKey is CWXDYWRUKXKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-13-17-11-12-20-18(17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3.
What are the key properties of N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine?
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 79367575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).