(1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol

C19H23NO2 — CID 71693864

IUPAC(1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol
SMILESCc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-13-7-9-15(10-8-13)16-11-17(21)19(22)18(16)20-12-14-5-3-2-4-6-14/h2-10,16-22H,11-12H2,1H3/t16-,17-,18-,19-/m1/s1
InChIKeyGSIIJLXFIZJLKM-NCXUSEDFSA-N
MW297.40 g/mol
LogP2.36
Rot. Bonds4

About (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol

(1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol (PubChem CID 71693864) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol
PubChem CID71693864
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol
SMILESCc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-13-7-9-15(10-8-13)16-11-17(21)19(22)18(16)20-12-14-5-3-2-4-6-14/h2-10,16-22H,11-12H2,1H3/t16-,17-,18-,19-/m1/s1
InChIKeyGSIIJLXFIZJLKM-NCXUSEDFSA-N
XLogP2.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol (CID 71693864) is (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol is Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)cc1.
What is the InChIKey of (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol?
The InChIKey is GSIIJLXFIZJLKM-NCXUSEDFSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-7-9-15(10-8-13)16-11-17(21)19(22)18(16)20-12-14-5-3-2-4-6-14/h2-10,16-22H,11-12H2,1H3/t16-,17-,18-,19-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol has a molecular weight of 297.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-(benzylamino)-4-(4-methylphenyl)cyclopentane-1,2-diol is sourced from PubChem (CID 71693864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).