2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde

C21H21NO2 — CID 87563578

IUPAC2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde
SMILESCC(C)Oc1ccc(Nc2ccc3cc(CC=O)ccc3c2)cc1
InChIInChI=1S/C21H21NO2/c1-15(2)24-21-9-7-19(8-10-21)22-20-6-5-17-13-16(11-12-23)3-4-18(17)14-20/h3-10,12-15,22H,11H2,1-2H3
InChIKeyFFRVNBVJLCPWJH-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.11
Rot. Bonds6

About 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde

2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde (PubChem CID 87563578) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde
PubChem CID87563578
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde
SMILESCC(C)Oc1ccc(Nc2ccc3cc(CC=O)ccc3c2)cc1
InChIInChI=1S/C21H21NO2/c1-15(2)24-21-9-7-19(8-10-21)22-20-6-5-17-13-16(11-12-23)3-4-18(17)14-20/h3-10,12-15,22H,11H2,1-2H3
InChIKeyFFRVNBVJLCPWJH-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.11
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

2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
CID 87564865
1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027164
2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde
CID 87564164
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
N-methyl-4-propan-2-yloxyaniline
CID 18002910
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
CID 123414265

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde?
The IUPAC name of 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde (CID 87563578) is 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde.
What is the SMILES notation for 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde?
The canonical SMILES for 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde is CC(C)Oc1ccc(Nc2ccc3cc(CC=O)ccc3c2)cc1.
What is the InChIKey of 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde?
The InChIKey is FFRVNBVJLCPWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(2)24-21-9-7-19(8-10-21)22-20-6-5-17-13-16(11-12-23)3-4-18(17)14-20/h3-10,12-15,22H,11H2,1-2H3.
What are the key properties of 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde?
2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde has a molecular weight of 319.40 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde is sourced from PubChem (CID 87563578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).