trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol

C15H23NO3 — CID 94414022

IUPACtrans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cccc(CN[C@H]2CCCC[C@@H]2O)c1OC
InChIInChI=1S/C15H23NO3/c1-18-14-9-5-6-11(15(14)19-2)10-16-12-7-3-4-8-13(12)17/h5-6,9,12-13,16-17H,3-4,7-8,10H2,1-2H3/t12-,13-/m0/s1
InChIKeyADCQEXAYQYULLF-STQMWFEESA-N
MW265.35 g/mol
LogP2.10
Rot. Bonds5

About trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 94414022) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID94414022
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametrans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cccc(CN[C@H]2CCCC[C@@H]2O)c1OC
InChIInChI=1S/C15H23NO3/c1-18-14-9-5-6-11(15(14)19-2)10-16-12-7-3-4-8-13(12)17/h5-6,9,12-13,16-17H,3-4,7-8,10H2,1-2H3/t12-,13-/m0/s1
InChIKeyADCQEXAYQYULLF-STQMWFEESA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol (CID 94414022) is trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol is COc1cccc(CN[C@H]2CCCC[C@@H]2O)c1OC.
What is the InChIKey of trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is ADCQEXAYQYULLF-STQMWFEESA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-14-9-5-6-11(15(14)19-2)10-16-12-7-3-4-8-13(12)17/h5-6,9,12-13,16-17H,3-4,7-8,10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 94414022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).