N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine

C18H23NO2 — CID 60977016

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1ccc2cc(CNCC3CCCCO3)ccc2c1
InChIInChI=1S/C18H23NO2/c1-20-17-8-7-15-10-14(5-6-16(15)11-17)12-19-13-18-4-2-3-9-21-18/h5-8,10-11,18-19H,2-4,9,12-13H2,1H3
InChIKeyXYYXCLYNEROJKV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 60977016) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID60977016
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1ccc2cc(CNCC3CCCCO3)ccc2c1
InChIInChI=1S/C18H23NO2/c1-20-17-8-7-15-10-14(5-6-16(15)11-17)12-19-13-18-4-2-3-9-21-18/h5-8,10-11,18-19H,2-4,9,12-13H2,1H3
InChIKeyXYYXCLYNEROJKV-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 54948810
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine (CID 60977016) is N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine is COc1ccc2cc(CNCC3CCCCO3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is XYYXCLYNEROJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-17-8-7-15-10-14(5-6-16(15)11-17)12-19-13-18-4-2-3-9-21-18/h5-8,10-11,18-19H,2-4,9,12-13H2,1H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 60977016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).