N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine

C18H23NO — CID 115851069

IUPACN-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)C1CCOC1C
InChIInChI=1S/C18H23NO/c1-3-19-18(17-10-11-20-13(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12-13,17-19H,3,10-11H2,1-2H3
InChIKeyQPRILUDFEHRVRK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.92
Rot. Bonds4

About N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 115851069) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID115851069
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)C1CCOC1C
InChIInChI=1S/C18H23NO/c1-3-19-18(17-10-11-20-13(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12-13,17-19H,3,10-11H2,1-2H3
InChIKeyQPRILUDFEHRVRK-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine (CID 115851069) is N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is QPRILUDFEHRVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-19-18(17-10-11-20-13(17)2)16-9-8-14-6-4-5-7-15(14)12-16/h4-9,12-13,17-19H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 115851069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).