1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine

C18H21N — CID 142660934

IUPAC1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
SMILESC[C@@H](c1ccccc1)N1CC1CCc1ccccc1
InChIInChI=1S/C18H21N/c1-15(17-10-6-3-7-11-17)19-14-18(19)13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18?,19?/m0/s1
InChIKeyFFWNFGFIHWBKRQ-MNNVXMFVSA-N
MW251.37 g/mol
LogP4.06
Rot. Bonds5

About 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine

1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine (PubChem CID 142660934) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
PubChem CID142660934
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
SMILESC[C@@H](c1ccccc1)N1CC1CCc1ccccc1
InChIInChI=1S/C18H21N/c1-15(17-10-6-3-7-11-17)19-14-18(19)13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18?,19?/m0/s1
InChIKeyFFWNFGFIHWBKRQ-MNNVXMFVSA-N
XLogP4.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-ol
CID 102227670
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
(2S)-1-benzyl-4-[(1R)-1-phenylethyl]-2-(2-phenylethyl)piperazine
CID 11964187
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
1-tert-butyl-2-(2-phenylethyl)aziridine
CID 155929239
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
CID 142660938
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 10588595
[1-(1-phenylethyl)aziridin-2-yl]methyl 2-methylprop-2-enoate
CID 59256266
6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 11722655
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine?
The IUPAC name of 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine (CID 142660934) is 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine?
The canonical SMILES for 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine is C[C@@H](c1ccccc1)N1CC1CCc1ccccc1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine?
The InChIKey is FFWNFGFIHWBKRQ-MNNVXMFVSA-N. The full InChI is InChI=1S/C18H21N/c1-15(17-10-6-3-7-11-17)19-14-18(19)13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18?,19?/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine?
1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine has a molecular weight of 251.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine is sourced from PubChem (CID 142660934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).