N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline

C18H27NO2 — CID 11369757

IUPACN-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C2CCCCC2)C2CCCO2)cc1
InChIInChI=1S/C18H27NO2/c1-20-16-11-9-15(10-12-16)19-18(17-8-5-13-21-17)14-6-3-2-4-7-14/h9-12,14,17-19H,2-8,13H2,1H3
InChIKeyXQLBLNDROOJHOT-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.24
Rot. Bonds5

About N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline

N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline (PubChem CID 11369757) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline
PubChem CID11369757
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C2CCCCC2)C2CCCO2)cc1
InChIInChI=1S/C18H27NO2/c1-20-16-11-9-15(10-12-16)19-18(17-8-5-13-21-17)14-6-3-2-4-7-14/h9-12,14,17-19H,2-8,13H2,1H3
InChIKeyXQLBLNDROOJHOT-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyanilino)-2-(oxolan-2-yl)acetonitrile
CID 82837638
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline
CID 102346213
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
N-(1-cyclohexylprop-2-enyl)-4-methoxyaniline
CID 175468474
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
CID 135058981
N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline
CID 70440350
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline?
The IUPAC name of N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline (CID 11369757) is N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline is COc1ccc(NC(C2CCCCC2)C2CCCO2)cc1.
What is the InChIKey of N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline?
The InChIKey is XQLBLNDROOJHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-16-11-9-15(10-12-16)19-18(17-8-5-13-21-17)14-6-3-2-4-7-14/h9-12,14,17-19H,2-8,13H2,1H3.
What are the key properties of N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline?
N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline has a molecular weight of 289.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 11369757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).