N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine

C19H25NO2 — CID 54804932

IUPACN-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
SMILESCCCNCc1c(OCC2CCCO2)ccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-2-11-20-13-18-17-8-4-3-6-15(17)9-10-19(18)22-14-16-7-5-12-21-16/h3-4,6,8-10,16,20H,2,5,7,11-14H2,1H3
InChIKeyXXAOPUQZIPZRKC-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.90
Rot. Bonds7

About N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine

N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine (PubChem CID 54804932) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
PubChem CID54804932
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
SMILESCCCNCc1c(OCC2CCCO2)ccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-2-11-20-13-18-17-8-4-3-6-15(17)9-10-19(18)22-14-16-7-5-12-21-16/h3-4,6,8-10,16,20H,2,5,7,11-14H2,1H3
InChIKeyXXAOPUQZIPZRKC-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531762
N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992125
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine (CID 54804932) is N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine is CCCNCc1c(OCC2CCCO2)ccc2ccccc12.
What is the InChIKey of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine?
The InChIKey is XXAOPUQZIPZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-2-11-20-13-18-17-8-4-3-6-15(17)9-10-19(18)22-14-16-7-5-12-21-16/h3-4,6,8-10,16,20H,2,5,7,11-14H2,1H3.
What are the key properties of N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine?
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 54804932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).