3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine

C14H24N2O — CID 113481742

IUPAC3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine
SMILESCOC(C)C(C)(CN)NC(C)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-11(13-8-6-5-7-9-13)16-14(3,10-15)12(2)17-4/h5-9,11-12,16H,10,15H2,1-4H3
InChIKeyQSDFFVJIUXBRJA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.09
Rot. Bonds6

About 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine

3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine (PubChem CID 113481742) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine
PubChem CID113481742
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine
SMILESCOC(C)C(C)(CN)NC(C)c1ccccc1
InChIInChI=1S/C14H24N2O/c1-11(13-8-6-5-7-9-13)16-14(3,10-15)12(2)17-4/h5-9,11-12,16H,10,15H2,1-4H3
InChIKeyQSDFFVJIUXBRJA-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
CID 59975349
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070986
2-methoxy-4-phenylpentan-1-amine
CID 66072374
N-(2,3-dimethylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 146442831
1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
CID 81351773
2-methoxy-3-phenylbutan-1-amine
CID 66071958
1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine?
The IUPAC name of 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine (CID 113481742) is 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine is COC(C)C(C)(CN)NC(C)c1ccccc1.
What is the InChIKey of 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine?
The InChIKey is QSDFFVJIUXBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(13-8-6-5-7-9-13)16-14(3,10-15)12(2)17-4/h5-9,11-12,16H,10,15H2,1-4H3.
What are the key properties of 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine?
3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-N-(1-phenylethyl)butane-1,2-diamine is sourced from PubChem (CID 113481742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).