2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal

C24H24F3NO2 — CID 162584349

IUPAC2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal
SMILESCCCC(C=O)(C(Nc1cccc2ccccc12)c1ccccc1OC)C(F)(F)F
InChIInChI=1S/C24H24F3NO2/c1-3-15-23(16-29,24(25,26)27)22(19-12-6-7-14-21(19)30-2)28-20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16,22,28H,3,15H2,1-2H3
InChIKeyBMWODNWDEGZPKX-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.55
Rot. Bonds8

About 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal

2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal (PubChem CID 162584349) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal
PubChem CID162584349
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal
SMILESCCCC(C=O)(C(Nc1cccc2ccccc12)c1ccccc1OC)C(F)(F)F
InChIInChI=1S/C24H24F3NO2/c1-3-15-23(16-29,24(25,26)27)22(19-12-6-7-14-21(19)30-2)28-20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16,22,28H,3,15H2,1-2H3
InChIKeyBMWODNWDEGZPKX-UHFFFAOYSA-N
XLogP6.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
1,1,1-trifluoro-3-(2-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 141214491
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
4-(2-chloro-3-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal
CID 174580312
2-(2,3-dimethoxyphenyl)butanal
CID 24973232
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 162536758
N-[1-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylpropanamide
CID 133184843
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
CID 70057339
(2Z)-N-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylidene)hexanamide
CID 134920409
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal?
The IUPAC name of 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal (CID 162584349) is 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal.
What is the SMILES notation for 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal?
The canonical SMILES for 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal is CCCC(C=O)(C(Nc1cccc2ccccc12)c1ccccc1OC)C(F)(F)F.
What is the InChIKey of 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal?
The InChIKey is BMWODNWDEGZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c1-3-15-23(16-29,24(25,26)27)22(19-12-6-7-14-21(19)30-2)28-20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16,22,28H,3,15H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal?
2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal has a molecular weight of 415.46 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)-(naphthalen-1-ylamino)methyl]-2-(trifluoromethyl)pentanal is sourced from PubChem (CID 162584349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).