N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine

C17H21NO2 — CID 107134305

IUPACN-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine
SMILESCNCc1c(OC2CCCOC2)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-18-11-16-15-7-3-2-5-13(15)8-9-17(16)20-14-6-4-10-19-12-14/h2-3,5,7-9,14,18H,4,6,10-12H2,1H3
InChIKeyGFYFLLQDQZXDSQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine

N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine (PubChem CID 107134305) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine
PubChem CID107134305
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine
SMILESCNCc1c(OC2CCCOC2)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-18-11-16-15-7-3-2-5-13(15)8-9-17(16)20-14-6-4-10-19-12-14/h2-3,5,7-9,14,18H,4,6,10-12H2,1H3
InChIKeyGFYFLLQDQZXDSQ-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-yloxyoxane
CID 107137916
2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
CID 60889614
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
1-[2-chloro-6-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 114318629
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536
potassium trifluoro-[2-(oxolan-3-yloxy)naphthalen-1-yl]boranuide
CID 63677057
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
CID 63936894
1-[3-bromo-5-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107134312
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine (CID 107134305) is N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine is CNCc1c(OC2CCCOC2)ccc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine?
The InChIKey is GFYFLLQDQZXDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-11-16-15-7-3-2-5-13(15)8-9-17(16)20-14-6-4-10-19-12-14/h2-3,5,7-9,14,18H,4,6,10-12H2,1H3.
What are the key properties of N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine?
N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine is sourced from PubChem (CID 107134305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).