N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine

C24H34N2O2 — CID 161280376

IUPACN-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
SMILESCN(CC[C@@H]1CO1)Cc1ccccc1.CN(CC[C@H]1CO1)Cc1ccccc1
InChIInChI=1S/2C12H17NO/c2*1-13(8-7-12-10-14-12)9-11-5-3-2-4-6-11/h2*2-6,12H,7-10H2,1H3/t2*12-/m10/s1
InChIKeyVEZPISQRUYWPLV-IZIBOJBPSA-N
MW382.55 g/mol
LogP3.81
Rot. Bonds10

About N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine

N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine (PubChem CID 161280376) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
PubChem CID161280376
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC NameN-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
SMILESCN(CC[C@@H]1CO1)Cc1ccccc1.CN(CC[C@H]1CO1)Cc1ccccc1
InChIInChI=1S/2C12H17NO/c2*1-13(8-7-12-10-14-12)9-11-5-3-2-4-6-11/h2*2-6,12H,7-10H2,1H3/t2*12-/m10/s1
InChIKeyVEZPISQRUYWPLV-IZIBOJBPSA-N
XLogP3.81
TPSA31.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-(oxiran-2-yl)ethyl]butan-2-amine
CID 131068282
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CID 163156617
2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
CID 130595374
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
4-amino-2-[[benzyl(methyl)amino]methyl]oxolan-3-one
CID 142239386
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
N-benzyl-N-methyl-2-(9H-thioxanthen-9-yl)ethanamine;hydrochloride
CID 24846983
magnesium;N-benzyl-N-methylpropan-1-amine;chloride
CID 88793658
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine (CID 161280376) is N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine is CN(CC[C@@H]1CO1)Cc1ccccc1.CN(CC[C@H]1CO1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine?
The InChIKey is VEZPISQRUYWPLV-IZIBOJBPSA-N. The full InChI is InChI=1S/2C12H17NO/c2*1-13(8-7-12-10-14-12)9-11-5-3-2-4-6-11/h2*2-6,12H,7-10H2,1H3/t2*12-/m10/s1.
What are the key properties of N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine?
N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine has a molecular weight of 382.55 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine is sourced from PubChem (CID 161280376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).