trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol

C17H27NO — CID 122181302

IUPACtrans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol
SMILESCCN(CCCc1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C17H27NO/c1-2-18(16-12-6-7-13-17(16)19)14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17,19H,2,6-8,11-14H2,1H3/t16-,17-/m1/s1
InChIKeyFUUZFYOXZOXIIK-IAGOWNOFSA-N
MW261.41 g/mol
LogP3.24
Rot. Bonds6

About trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol (PubChem CID 122181302) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol
PubChem CID122181302
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nametrans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol
SMILESCCN(CCCc1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C17H27NO/c1-2-18(16-12-6-7-13-17(16)19)14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17,19H,2,6-8,11-14H2,1H3/t16-,17-/m1/s1
InChIKeyFUUZFYOXZOXIIK-IAGOWNOFSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol (CID 122181302) is trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol is CCN(CCCc1ccccc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol?
The InChIKey is FUUZFYOXZOXIIK-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18(16-12-6-7-13-17(16)19)14-8-11-15-9-4-3-5-10-15/h3-5,9-10,16-17,19H,2,6-8,11-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[ethyl(3-phenylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 122181302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).