N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline

C15H23NO — CID 101388874

IUPACN-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](C)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h8-13,16H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyNOFCXSLBHOBCLS-GFCCVEGCSA-N
MW233.36 g/mol
LogP4.08
Rot. Bonds4

About N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline

N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline (PubChem CID 101388874) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
PubChem CID101388874
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](C)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h8-13,16H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyNOFCXSLBHOBCLS-GFCCVEGCSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline
CID 102346213
N-(1-cyclohexylprop-2-enyl)-4-methoxyaniline
CID 175468474
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline
CID 11369757
2-[4-(1-cyclohexylethylamino)phenyl]ethanol
CID 61239115
N-(1-cyclobutylethyl)aniline
CID 58933203
3-[4-(1-cyclopentylethylamino)phenoxy]propanamide
CID 62631553
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline (CID 101388874) is N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline is COc1ccc(N[C@H](C)C2CCCCC2)cc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline?
The InChIKey is NOFCXSLBHOBCLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(13-6-4-3-5-7-13)16-14-8-10-15(17-2)11-9-14/h8-13,16H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline?
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline has a molecular weight of 233.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline is sourced from PubChem (CID 101388874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).