N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine

C22H26N2O2 — CID 66526225

IUPACN-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCCCOc1ccc2ccccc2c1CNCCCOc1ccccn1
InChIInChI=1S/C22H26N2O2/c1-2-15-25-21-12-11-18-8-3-4-9-19(18)20(21)17-23-13-7-16-26-22-10-5-6-14-24-22/h3-6,8-12,14,23H,2,7,13,15-17H2,1H3
InChIKeyYGNNRHRJSVGITR-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.58
Rot. Bonds10

About N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine

N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526225) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526225
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCCCOc1ccc2ccccc2c1CNCCCOc1ccccn1
InChIInChI=1S/C22H26N2O2/c1-2-15-25-21-12-11-18-8-3-4-9-19(18)20(21)17-23-13-7-16-26-22-10-5-6-14-24-22/h3-6,8-12,14,23H,2,7,13,15-17H2,1H3
InChIKeyYGNNRHRJSVGITR-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 66526190
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070

Frequently Asked Questions

What is the IUPAC name of N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526225) is N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine is CCCOc1ccc2ccccc2c1CNCCCOc1ccccn1.
What is the InChIKey of N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is YGNNRHRJSVGITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-15-25-21-12-11-18-8-3-4-9-19(18)20(21)17-23-13-7-16-26-22-10-5-6-14-24-22/h3-6,8-12,14,23H,2,7,13,15-17H2,1H3.
What are the key properties of N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 350.46 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).