N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine

C26H33NO — CID 54803978

IUPACN-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
SMILESCCCCCCCCOc1ccc2ccccc2c1CNCc1ccccc1
InChIInChI=1S/C26H33NO/c1-2-3-4-5-6-12-19-28-26-18-17-23-15-10-11-16-24(23)25(26)21-27-20-22-13-8-7-9-14-22/h7-11,13-18,27H,2-6,12,19-21H2,1H3
InChIKeyWEYGHSYBCRADQU-UHFFFAOYSA-N
MW375.56 g/mol
LogP6.87
Rot. Bonds12

About N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine

N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine (PubChem CID 54803978) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
PubChem CID54803978
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC NameN-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
SMILESCCCCCCCCOc1ccc2ccccc2c1CNCc1ccccc1
InChIInChI=1S/C26H33NO/c1-2-3-4-5-6-12-19-28-26-18-17-23-15-10-11-16-24(23)25(26)21-27-20-22-13-8-7-9-14-22/h7-11,13-18,27H,2-6,12,19-21H2,1H3
InChIKeyWEYGHSYBCRADQU-UHFFFAOYSA-N
XLogP6.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
CID 54849210
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
CID 54804162
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
1-(2-chloro-4,5-dimethoxyphenyl)-N-[(2-decoxynaphthalen-1-yl)methyl]methanamine
CID 54855639
1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804

Frequently Asked Questions

What is the IUPAC name of N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine (CID 54803978) is N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine is CCCCCCCCOc1ccc2ccccc2c1CNCc1ccccc1.
What is the InChIKey of N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
The InChIKey is WEYGHSYBCRADQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO/c1-2-3-4-5-6-12-19-28-26-18-17-23-15-10-11-16-24(23)25(26)21-27-20-22-13-8-7-9-14-22/h7-11,13-18,27H,2-6,12,19-21H2,1H3.
What are the key properties of N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine has a molecular weight of 375.56 g/mol, XLogP of 6.87, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54803978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).