1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine

C18H27N — CID 162646898

IUPAC1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine
SMILESc1ccc([C@@H]2CCC[C@@H](CCN3CCCC3)C2)cc1
InChIInChI=1S/C18H27N/c1-2-8-17(9-3-1)18-10-6-7-16(15-18)11-14-19-12-4-5-13-19/h1-3,8-9,16,18H,4-7,10-15H2/t16-,18+/m0/s1
InChIKeyVYOUEQHNTFGTEI-FUHWJXTLSA-N
MW257.42 g/mol
LogP4.45
Rot. Bonds4

About 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine

1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine (PubChem CID 162646898) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine
PubChem CID162646898
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine
SMILESc1ccc([C@@H]2CCC[C@@H](CCN3CCCC3)C2)cc1
InChIInChI=1S/C18H27N/c1-2-8-17(9-3-1)18-10-6-7-16(15-18)11-14-19-12-4-5-13-19/h1-3,8-9,16,18H,4-7,10-15H2/t16-,18+/m0/s1
InChIKeyVYOUEQHNTFGTEI-FUHWJXTLSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine (CID 162646898) is 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine is c1ccc([C@@H]2CCC[C@@H](CCN3CCCC3)C2)cc1.
What is the InChIKey of 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine?
The InChIKey is VYOUEQHNTFGTEI-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H27N/c1-2-8-17(9-3-1)18-10-6-7-16(15-18)11-14-19-12-4-5-13-19/h1-3,8-9,16,18H,4-7,10-15H2/t16-,18+/m0/s1.
What are the key properties of 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine?
1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3R)-3-phenylcyclohexyl]ethyl]pyrrolidine is sourced from PubChem (CID 162646898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).