N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline

C16H23NO — CID 102346213

IUPACN-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline
SMILESC=C[C@H](Nc1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C16H23NO/c1-3-16(13-7-5-4-6-8-13)17-14-9-11-15(18-2)12-10-14/h3,9-13,16-17H,1,4-8H2,2H3/t16-/m0/s1
InChIKeyWUWLWONXSVLHSF-INIZCTEOSA-N
MW245.37 g/mol
LogP4.24
Rot. Bonds5

About N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline

N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline (PubChem CID 102346213) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline
PubChem CID102346213
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline
SMILESC=C[C@H](Nc1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C16H23NO/c1-3-16(13-7-5-4-6-8-13)17-14-9-11-15(18-2)12-10-14/h3,9-13,16-17H,1,4-8H2,2H3/t16-/m0/s1
InChIKeyWUWLWONXSVLHSF-INIZCTEOSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylprop-2-enyl)-4-methoxyaniline
CID 175468474
N-[(1S)-1-cyclohexylprop-2-enyl]-4-fluoroaniline
CID 102346211
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline
CID 70440350
N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline
CID 11369757
ethyl (E,5S)-5-cyclohexyl-5-(4-methoxyanilino)pent-2-enoate
CID 135055916
cyclohexyl 2-(4-methoxyanilino)propanoate
CID 175094894
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline?
The IUPAC name of N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline (CID 102346213) is N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline.
What is the SMILES notation for N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline?
The canonical SMILES for N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline is C=C[C@H](Nc1ccc(OC)cc1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline?
The InChIKey is WUWLWONXSVLHSF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-16(13-7-5-4-6-8-13)17-14-9-11-15(18-2)12-10-14/h3,9-13,16-17H,1,4-8H2,2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline?
N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline has a molecular weight of 245.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline is sourced from PubChem (CID 102346213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).