trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol

C16H25NO — CID 71769268

IUPACtrans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
SMILESCN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3/t15-,16-/m0/s1
InChIKeyJGCZBDZBMDXUDD-HOTGVXAUSA-N
MW247.38 g/mol
LogP2.85
Rot. Bonds5

About trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol (PubChem CID 71769268) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
PubChem CID71769268
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nametrans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol
SMILESCN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3/t15-,16-/m0/s1
InChIKeyJGCZBDZBMDXUDD-HOTGVXAUSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Vesamicol
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Betamethadol
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Vesamicol hydrochloride
CID 212231
Cinnamedrine
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Etafedrine
CID 94532

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol (CID 71769268) is trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol is CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The InChIKey is JGCZBDZBMDXUDD-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H25NO/c1-17(15-11-5-6-12-16(15)18)13-7-10-14-8-3-2-4-9-14/h2-4,8-9,15-16,18H,5-7,10-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl(3-phenylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 71769268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).