1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine

C18H23NO2 — CID 62907229

IUPAC1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(OC)c2ccccc12)C1CCOCC1
InChIInChI=1S/C18H23NO2/c1-19-18(13-9-11-21-12-10-13)16-7-8-17(20-2)15-6-4-3-5-14(15)16/h3-8,13,18-19H,9-12H2,1-2H3
InChIKeyGMKABLXGQPWOBP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62907229) 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-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62907229
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(OC)c2ccccc12)C1CCOCC1
InChIInChI=1S/C18H23NO2/c1-19-18(13-9-11-21-12-10-13)16-7-8-17(20-2)15-6-4-3-5-14(15)16/h3-8,13,18-19H,9-12H2,1-2H3
InChIKeyGMKABLXGQPWOBP-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 82807411
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55132757
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62907229) is 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1ccc(OC)c2ccccc12)C1CCOCC1.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is GMKABLXGQPWOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19-18(13-9-11-21-12-10-13)16-7-8-17(20-2)15-6-4-3-5-14(15)16/h3-8,13,18-19H,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.54, 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-(oxan-4-yl)methanamine is sourced from PubChem (CID 62907229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).