N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine

C23H27NO2 — CID 54804539

IUPACN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
SMILESCOCCOc1ccc2ccccc2c1CNCCCc1ccccc1
InChIInChI=1S/C23H27NO2/c1-25-16-17-26-23-14-13-20-11-5-6-12-21(20)22(23)18-24-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-14,24H,7,10,15-18H2,1H3
InChIKeyKURXZAMHEOPYNN-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.59
Rot. Bonds10

About N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine

N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine (PubChem CID 54804539) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
PubChem CID54804539
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
SMILESCOCCOc1ccc2ccccc2c1CNCCCc1ccccc1
InChIInChI=1S/C23H27NO2/c1-25-16-17-26-23-14-13-20-11-5-6-12-21(20)22(23)18-24-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-14,24H,7,10,15-18H2,1H3
InChIKeyKURXZAMHEOPYNN-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.59
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

N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
CID 54804530
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54804645
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine (CID 54804539) is N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine is COCCOc1ccc2ccccc2c1CNCCCc1ccccc1.
What is the InChIKey of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine?
The InChIKey is KURXZAMHEOPYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-25-16-17-26-23-14-13-20-11-5-6-12-21(20)22(23)18-24-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-14,24H,7,10,15-18H2,1H3.
What are the key properties of N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine?
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine has a molecular weight of 349.47 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 54804539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).