N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline

C17H21NO2 — CID 46868717

IUPACN-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@@H]2CCCC[C@@H]2c2ccco2)cc1
InChIInChI=1S/C17H21NO2/c1-19-14-10-8-13(9-11-14)18-16-6-3-2-5-15(16)17-7-4-12-20-17/h4,7-12,15-16,18H,2-3,5-6H2,1H3/t15-,16+/m0/s1
InChIKeyYGCXZUVBWANNOC-JKSUJKDBSA-N
MW271.36 g/mol
LogP4.43
Rot. Bonds4

About N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline

N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline (PubChem CID 46868717) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline
PubChem CID46868717
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@@H]2CCCC[C@@H]2c2ccco2)cc1
InChIInChI=1S/C17H21NO2/c1-19-14-10-8-13(9-11-14)18-16-6-3-2-5-15(16)17-7-4-12-20-17/h4,7-12,15-16,18H,2-3,5-6H2,1H3/t15-,16+/m0/s1
InChIKeyYGCXZUVBWANNOC-JKSUJKDBSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.43
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

N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
CID 135074214
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
CID 126847817
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
[(1R,2R)-2-(4-methoxyanilino)cyclohexyl]-piperidin-1-ylmethanone
CID 125474268
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543661
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
CID 797847
4-(4-methoxyanilino)oxolan-3-ol
CID 60902076
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline?
The IUPAC name of N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline (CID 46868717) is N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline.
What is the SMILES notation for N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline?
The canonical SMILES for N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline is COc1ccc(N[C@@H]2CCCC[C@@H]2c2ccco2)cc1.
What is the InChIKey of N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline?
The InChIKey is YGCXZUVBWANNOC-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-14-10-8-13(9-11-14)18-16-6-3-2-5-15(16)17-7-4-12-20-17/h4,7-12,15-16,18H,2-3,5-6H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline?
N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline has a molecular weight of 271.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline is sourced from PubChem (CID 46868717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).