(1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol

C18H27NO — CID 164799609

IUPAC(1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol
SMILESCNC1CCCC([C@H]2C[C@@H](c3ccccc3)C[C@@H]2O)C1
InChIInChI=1S/C18H27NO/c1-19-16-9-5-8-14(10-16)17-11-15(12-18(17)20)13-6-3-2-4-7-13/h2-4,6-7,14-20H,5,8-12H2,1H3/t14?,15-,16?,17-,18+/m1/s1
InChIKeyWSYFIYAINVUEKM-GNBAHCQZSA-N
MW273.42 g/mol
LogP3.32
Rot. Bonds3

About (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol

(1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol (PubChem CID 164799609) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol
PubChem CID164799609
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol
SMILESCNC1CCCC([C@H]2C[C@@H](c3ccccc3)C[C@@H]2O)C1
InChIInChI=1S/C18H27NO/c1-19-16-9-5-8-14(10-16)17-11-15(12-18(17)20)13-6-3-2-4-7-13/h2-4,6-7,14-20H,5,8-12H2,1H3/t14?,15-,16?,17-,18+/m1/s1
InChIKeyWSYFIYAINVUEKM-GNBAHCQZSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol (CID 164799609) is (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol is CNC1CCCC([C@H]2C[C@@H](c3ccccc3)C[C@@H]2O)C1.
What is the InChIKey of (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol?
The InChIKey is WSYFIYAINVUEKM-GNBAHCQZSA-N. The full InChI is InChI=1S/C18H27NO/c1-19-16-9-5-8-14(10-16)17-11-15(12-18(17)20)13-6-3-2-4-7-13/h2-4,6-7,14-20H,5,8-12H2,1H3/t14?,15-,16?,17-,18+/m1/s1.
What are the key properties of (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol?
(1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-[3-(methylamino)cyclohexyl]-4-phenylcyclopentan-1-ol is sourced from PubChem (CID 164799609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).