N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine

C20H25NO — CID 54154459

IUPACN-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine
SMILESCC=CCNCCC(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-4-16-21-17-15-20(22-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14,21H,15-17H2,1-2H3
InChIKeyOKAQXDVJEVYCDB-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.13
Rot. Bonds8

About N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine

N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine (PubChem CID 54154459) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine
PubChem CID54154459
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine
SMILESCC=CCNCCC(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-4-16-21-17-15-20(22-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14,21H,15-17H2,1-2H3
InChIKeyOKAQXDVJEVYCDB-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
2-but-2-enylperoxypropan-2-ylbenzene
CID 57128435
N-(3-methoxypropyl)but-2-en-1-amine
CID 141114673
[(E)-1,1-bis(methylsulfanyl)pent-3-enyl]benzene
CID 134919659
N-[dimethoxy(phenyl)methyl]propan-1-amine
CID 57151893
4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine
CID 150274974
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
methyl 4,4-diphenyl-4-silyloxybutanoate
CID 175160957
4-(ethylamino)-2,2-diphenylbutanal
CID 167198671
(E)-N-(2-bromoethyl)but-2-en-1-amine
CID 107897799
2-bromo-N-[(E)-but-2-enyl]aniline
CID 12064676
but-2-enoxybenzene
CID 564963

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine?
The IUPAC name of N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine (CID 54154459) is N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine.
What is the SMILES notation for N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine?
The canonical SMILES for N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine is CC=CCNCCC(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine?
The InChIKey is OKAQXDVJEVYCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-4-16-21-17-15-20(22-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14,21H,15-17H2,1-2H3.
What are the key properties of N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine?
N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3,3-diphenylpropyl)but-2-en-1-amine is sourced from PubChem (CID 54154459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).