(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol

C18H21NO — CID 10515991

IUPAC(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
SMILESCc1ccccc1[C@@H](O)[C@@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13-8-6-7-11-16(13)18(20)17-12-19(17)14(2)15-9-4-3-5-10-15/h3-11,14,17-18,20H,12H2,1-2H3/t14-,17+,18-,19?/m1/s1
InChIKeyCBJCYELLSLUUHX-HCGGPHHBSA-N
MW267.37 g/mol
LogP3.47
Rot. Bonds4

About (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol

(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol (PubChem CID 10515991) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
PubChem CID10515991
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
SMILESCc1ccccc1[C@@H](O)[C@@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13-8-6-7-11-16(13)18(20)17-12-19(17)14(2)15-9-4-3-5-10-15/h3-11,14,17-18,20H,12H2,1-2H3/t14-,17+,18-,19?/m1/s1
InChIKeyCBJCYELLSLUUHX-HCGGPHHBSA-N
XLogP3.47
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
The IUPAC name of (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol (CID 10515991) is (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol.
What is the SMILES notation for (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
The canonical SMILES for (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol is Cc1ccccc1[C@@H](O)[C@@H]1CN1[C@H](C)c1ccccc1.
What is the InChIKey of (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
The InChIKey is CBJCYELLSLUUHX-HCGGPHHBSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-8-6-7-11-16(13)18(20)17-12-19(17)14(2)15-9-4-3-5-10-15/h3-11,14,17-18,20H,12H2,1-2H3/t14-,17+,18-,19?/m1/s1.
What are the key properties of (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol?
(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol has a molecular weight of 267.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol is sourced from PubChem (CID 10515991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).