N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline

C28H37NO — CID 154621195

IUPACN-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
SMILESCCCCCCCCCCN(Cc1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C28H37NO/c1-3-4-5-6-7-8-9-12-22-29(26-18-20-27(30-2)21-19-26)23-25-16-13-15-24-14-10-11-17-28(24)25/h10-11,13-21H,3-9,12,22-23H2,1-2H3
InChIKeyOXCSOQUUUPKSHJ-UHFFFAOYSA-N
MW403.61 g/mol
LogP8.00
Rot. Bonds13

About N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline

N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 154621195) has the molecular formula C28H37NO and a molecular weight of 403.61 g/mol. Its IUPAC name is N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
PubChem CID154621195
Molecular FormulaC28H37NO
Molecular Weight403.61 g/mol
Exact Mass403.29
IUPAC NameN-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
SMILESCCCCCCCCCCN(Cc1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C28H37NO/c1-3-4-5-6-7-8-9-12-22-29(26-18-20-27(30-2)21-19-26)23-25-16-13-15-24-14-10-11-17-28(24)25/h10-11,13-21H,3-9,12,22-23H2,1-2H3
InChIKeyOXCSOQUUUPKSHJ-UHFFFAOYSA-N
XLogP8.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(7,8-dihydronaphthalen-1-ylmethyl)-4-methoxy-N-nonylaniline
CID 138519618
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 138518680
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
2-[(N-butylanilino)methyl]-5-methoxyaniline
CID 115414199
N-hexyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347503
N-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-4-methoxy-N-nonylaniline
CID 138519624

Frequently Asked Questions

What is the IUPAC name of N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline (CID 154621195) is N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline is CCCCCCCCCCN(Cc1cccc2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is OXCSOQUUUPKSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO/c1-3-4-5-6-7-8-9-12-22-29(26-18-20-27(30-2)21-19-26)23-25-16-13-15-24-14-10-11-17-28(24)25/h10-11,13-21H,3-9,12,22-23H2,1-2H3.
What are the key properties of N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline?
N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 403.61 g/mol, XLogP of 8.00, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 154621195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).