1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C18H23NO2 — CID 79755096

IUPAC1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(OC)c2ccccc12)C1CCOC1C
InChIInChI=1S/C18H23NO2/c1-12-13(10-11-21-12)18(19-2)16-8-9-17(20-3)15-7-5-4-6-14(15)16/h4-9,12-13,18-19H,10-11H2,1-3H3
InChIKeyPIOVTCUJAZTOET-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 79755096) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID79755096
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(OC)c2ccccc12)C1CCOC1C
InChIInChI=1S/C18H23NO2/c1-12-13(10-11-21-12)18(19-2)16-8-9-17(20-3)15-7-5-4-6-14(15)16/h4-9,12-13,18-19H,10-11H2,1-3H3
InChIKeyPIOVTCUJAZTOET-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229
[(3-bromo-2,4-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 103524743
N-methyl-1-(2-methyloxolan-3-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018149
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760034
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758131
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 79755096) is 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(c1ccc(OC)c2ccccc12)C1CCOC1C.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is PIOVTCUJAZTOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-13(10-11-21-12)18(19-2)16-8-9-17(20-3)15-7-5-4-6-14(15)16/h4-9,12-13,18-19H,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79755096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).