2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol

C18H21NO — CID 142660938

IUPAC2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
SMILESC[C@@H](c1ccccc1)N1CC1C(O)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-14(16-10-6-3-7-11-16)19-13-17(19)18(20)12-15-8-4-2-5-9-15/h2-11,14,17-18,20H,12-13H2,1H3/t14-,17?,18?,19?/m0/s1
InChIKeyMNBUYLNBZFRDNK-ZWNCQPIPSA-N
MW267.37 g/mol
LogP3.04
Rot. Bonds5

About 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol

2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol (PubChem CID 142660938) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol.

Molecular Properties

Compound Name2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
PubChem CID142660938
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
SMILESC[C@@H](c1ccccc1)N1CC1C(O)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-14(16-10-6-3-7-11-16)19-13-17(19)18(20)12-15-8-4-2-5-9-15/h2-11,14,17-18,20H,12-13H2,1H3/t14-,17?,18?,19?/m0/s1
InChIKeyMNBUYLNBZFRDNK-ZWNCQPIPSA-N
XLogP3.04
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.04
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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Related Compounds

(1R)-1-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]but-3-en-1-ol
CID 71475357
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
ethyl (3S)-3-hydroxy-3-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propanoate
CID 11832258
ethyl (3S)-3-hydroxy-3-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propanoate
CID 11076293
(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol
CID 12027951
CID 11984519
CID 11984519
(R)-(2-methylphenyl)-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 10515991
(4R)-4-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]-4-phenylmethoxybutan-1-ol
CID 138966726
methyl (2S,3S)-2,3-dihydroxy-3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 138966686
(1R)-1-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]hept-2-yn-1-ol
CID 100979767
1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol?
The IUPAC name of 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol (CID 142660938) is 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol.
What is the SMILES notation for 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol?
The canonical SMILES for 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol is C[C@@H](c1ccccc1)N1CC1C(O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol?
The InChIKey is MNBUYLNBZFRDNK-ZWNCQPIPSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(16-10-6-3-7-11-16)19-13-17(19)18(20)12-15-8-4-2-5-9-15/h2-11,14,17-18,20H,12-13H2,1H3/t14-,17?,18?,19?/m0/s1.
What are the key properties of 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol?
2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol has a molecular weight of 267.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol is sourced from PubChem (CID 142660938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).