(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine

C18H21NO — CID 11173187

IUPAC(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
SMILESC[C@@H]([C@@H]1CO1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(18-14-20-18)19(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-,18-/m0/s1
InChIKeyQGFXKSJBQYKAPR-YJBOKZPZSA-N
MW267.37 g/mol
LogP3.48
Rot. Bonds6

About (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine

(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine (PubChem CID 11173187) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
PubChem CID11173187
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
SMILESC[C@@H]([C@@H]1CO1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(18-14-20-18)19(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-,18-/m0/s1
InChIKeyQGFXKSJBQYKAPR-YJBOKZPZSA-N
XLogP3.48
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(dibenzylamino)-2-[(2R)-oxiran-2-yl]ethanol
CID 10968020
N-benzyl-N-[2-(oxiran-2-yl)ethyl]butan-2-amine
CID 131068282
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N,N-dibenzyl-1-piperidin-2-ylethanamine
CID 131021341
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
(2S,3S)-2-[(1S)-1-(dibenzylamino)ethyl]-5-oxaspiro[2.4]heptan-4-one
CID 100936907
1-[(2S)-oxiran-2-yl]ethyl-(4-phenylmethoxyphenyl)carbamic acid
CID 87654320
(1S)-N,N-dibenzyl-1-[(2S)-5-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-dihydrofuran-2-yl]ethanamine
CID 90073950
1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride
CID 120980321
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine;N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 158740131

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine?
The IUPAC name of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine (CID 11173187) is (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine.
What is the SMILES notation for (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine?
The canonical SMILES for (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine is C[C@@H]([C@@H]1CO1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine?
The InChIKey is QGFXKSJBQYKAPR-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(18-14-20-18)19(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-,18-/m0/s1.
What are the key properties of (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine?
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine is sourced from PubChem (CID 11173187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).