cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one

C14H19NO2 — CID 142560384

IUPACcis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one
SMILESCOc1ccccc1[C@@]1(N)C[C@H](C)CCC1=O
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(16)14(15,9-10)11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,15H2,1-2H3/t10-,14+/m1/s1
InChIKeyBDOHRMDUCQTRCJ-YGRLFVJLSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds2

About cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one

cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one (PubChem CID 142560384) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one
PubChem CID142560384
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one
SMILESCOc1ccccc1[C@@]1(N)C[C@H](C)CCC1=O
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(16)14(15,9-10)11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,15H2,1-2H3/t10-,14+/m1/s1
InChIKeyBDOHRMDUCQTRCJ-YGRLFVJLSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 64516240
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538709
5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777218
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
CID 105445462
1-(1-isocyano-2-methylcyclopropyl)-2-methoxybenzene
CID 84770409
1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 116809881
3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442

Frequently Asked Questions

What is the IUPAC name of cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one?
The IUPAC name of cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one (CID 142560384) is cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one.
What is the SMILES notation for cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one?
The canonical SMILES for cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one is COc1ccccc1[C@@]1(N)C[C@H](C)CCC1=O.
What is the InChIKey of cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one?
The InChIKey is BDOHRMDUCQTRCJ-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-8-13(16)14(15,9-10)11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,15H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one?
cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-2-amino-2-(2-methoxyphenyl)-4-methylcyclohexan-1-one is sourced from PubChem (CID 142560384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).