trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol

C14H21NO2 — CID 94220692

IUPACtrans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
SMILESCOCc1ccccc1N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H21NO2/c1-17-10-11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)16/h2-3,6-7,13-16H,4-5,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyNXZUNOVONUCJGW-ZIAGYGMSSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds4

About trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol

trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol (PubChem CID 94220692) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
PubChem CID94220692
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametrans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
SMILESCOCc1ccccc1N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H21NO2/c1-17-10-11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)16/h2-3,6-7,13-16H,4-5,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyNXZUNOVONUCJGW-ZIAGYGMSSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline
CID 113483352
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 79828961
trans-(1R,2R)-2-(2-ethylanilino)cyclobutan-1-ol
CID 131701457
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
2-(2-propan-2-ylanilino)cyclohexan-1-ol
CID 60885259

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol (CID 94220692) is trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol is COCc1ccccc1N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol?
The InChIKey is NXZUNOVONUCJGW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-10-11-6-2-3-7-12(11)15-13-8-4-5-9-14(13)16/h2-3,6-7,13-16H,4-5,8-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 94220692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).