N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine

C30H36N2O — CID 164786078

IUPACN-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine
SMILESCOc1ccc(C(C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCC2)cc1
InChIInChI=1S/C30H36N2O/c1-25(26-15-17-29(33-2)18-16-26)32(24-23-31-20-9-10-21-31)22-19-30(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-19,25H,9-10,20-24H2,1-2H3
InChIKeyATBOIBOPGUDMFH-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.29
Rot. Bonds10

About N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine

N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine (PubChem CID 164786078) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine
PubChem CID164786078
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine
SMILESCOc1ccc(C(C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCC2)cc1
InChIInChI=1S/C30H36N2O/c1-25(26-15-17-29(33-2)18-16-26)32(24-23-31-20-9-10-21-31)22-19-30(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-19,25H,9-10,20-24H2,1-2H3
InChIKeyATBOIBOPGUDMFH-UHFFFAOYSA-N
XLogP6.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
CID 155690026
1-[4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-1-yl]ethanone
CID 164786115
tert-butyl 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazine-1-carboxylate
CID 164786069
N-tert-butyl-4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazine-1-carboxamide
CID 164786118
1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207477
2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
N,N-bis(2-chloroethyl)-1-(4-methoxyphenyl)ethanamine
CID 18416854
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
[(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ylpropyl] benzoate
CID 7411313
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine (CID 164786078) is N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine is COc1ccc(C(C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine?
The InChIKey is ATBOIBOPGUDMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-25(26-15-17-29(33-2)18-16-26)32(24-23-31-20-9-10-21-31)22-19-30(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-19,25H,9-10,20-24H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine?
N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine has a molecular weight of 440.63 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3,3-diphenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 164786078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).