1-(1,1-diphenylethoxy)ethanamine

C16H19NO — CID 66761557

IUPAC1-(1,1-diphenylethoxy)ethanamine
SMILESCC(N)OC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(17)18-16(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,17H2,1-2H3
InChIKeySWMGWEVFZFRAEA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.27
Rot. Bonds4

About 1-(1,1-diphenylethoxy)ethanamine

1-(1,1-diphenylethoxy)ethanamine (PubChem CID 66761557) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1,1-diphenylethoxy)ethanamine.

Molecular Properties

Compound Name1-(1,1-diphenylethoxy)ethanamine
PubChem CID66761557
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(1,1-diphenylethoxy)ethanamine
SMILESCC(N)OC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(17)18-16(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,17H2,1-2H3
InChIKeySWMGWEVFZFRAEA-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
3-methyl-1,1,1-triphenylbutan-2-amine
CID 67050578
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
1,1-diphenylethyl carbamate
CID 20976713
(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol
CID 143500343
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
3-amino-4,4-diphenylpentan-2-ol
CID 18533371
1,1-diphenylethanamine
CID 12761172
(1,1-dichloro-2-methyl-2-propan-2-yloxypropyl)benzene
CID 21316533
2-N,2-N,2-triphenylbutane-2,3-diamine
CID 67601655

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenylethoxy)ethanamine?
The IUPAC name of 1-(1,1-diphenylethoxy)ethanamine (CID 66761557) is 1-(1,1-diphenylethoxy)ethanamine.
What is the SMILES notation for 1-(1,1-diphenylethoxy)ethanamine?
The canonical SMILES for 1-(1,1-diphenylethoxy)ethanamine is CC(N)OC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,1-diphenylethoxy)ethanamine?
The InChIKey is SWMGWEVFZFRAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(17)18-16(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,17H2,1-2H3.
What are the key properties of 1-(1,1-diphenylethoxy)ethanamine?
1-(1,1-diphenylethoxy)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenylethoxy)ethanamine is sourced from PubChem (CID 66761557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).