N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine

C16H19NO — CID 964929

IUPACN-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine
SMILESc1ccc2c(CNC[C@H]3CCCO3)cccc2c1
InChIInChI=1S/C16H19NO/c1-2-9-16-13(5-1)6-3-7-14(16)11-17-12-15-8-4-10-18-15/h1-3,5-7,9,15,17H,4,8,10-12H2/t15-/m1/s1
InChIKeyCLVXIFKQNMXQFQ-OAHLLOKOSA-N
MW241.33 g/mol
LogP3.11
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine

N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 964929) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID964929
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine
SMILESc1ccc2c(CNC[C@H]3CCCO3)cccc2c1
InChIInChI=1S/C16H19NO/c1-2-9-16-13(5-1)6-3-7-14(16)11-17-12-15-8-4-10-18-15/h1-3,5-7,9,15,17H,4,8,10-12H2/t15-/m1/s1
InChIKeyCLVXIFKQNMXQFQ-OAHLLOKOSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine (CID 964929) is N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine is c1ccc2c(CNC[C@H]3CCCO3)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is CLVXIFKQNMXQFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-9-16-13(5-1)6-3-7-14(16)11-17-12-15-8-4-10-18-15/h1-3,5-7,9,15,17H,4,8,10-12H2/t15-/m1/s1.
What are the key properties of N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine?
N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 964929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).