(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine

C16H21N3 — CID 104941977

IUPAC(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)c1cncn1C1CCCC1
InChIInChI=1S/C16H21N3/c17-15(10-13-6-2-1-3-7-13)16-11-18-12-19(16)14-8-4-5-9-14/h1-3,6-7,11-12,14-15H,4-5,8-10,17H2/t15-/m1/s1
InChIKeyMFNUTFKBLLDJPG-OAHLLOKOSA-N
MW255.37 g/mol
LogP3.24
Rot. Bonds4

About (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine

(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine (PubChem CID 104941977) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
PubChem CID104941977
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)c1cncn1C1CCCC1
InChIInChI=1S/C16H21N3/c17-15(10-13-6-2-1-3-7-13)16-11-18-12-19(16)14-8-4-5-9-14/h1-3,6-7,11-12,14-15H,4-5,8-10,17H2/t15-/m1/s1
InChIKeyMFNUTFKBLLDJPG-OAHLLOKOSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine?
The IUPAC name of (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine (CID 104941977) is (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine.
What is the SMILES notation for (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine?
The canonical SMILES for (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine is N[C@H](Cc1ccccc1)c1cncn1C1CCCC1.
What is the InChIKey of (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine?
The InChIKey is MFNUTFKBLLDJPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3/c17-15(10-13-6-2-1-3-7-13)16-11-18-12-19(16)14-8-4-5-9-14/h1-3,6-7,11-12,14-15H,4-5,8-10,17H2/t15-/m1/s1.
What are the key properties of (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine?
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine is sourced from PubChem (CID 104941977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).