N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

C29H34N2O — CID 155690026

IUPACN-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCC2)cc1
InChIInChI=1S/C29H34N2O/c1-24(25-14-16-28(32-2)17-15-25)31(23-22-30-19-9-20-30)21-18-29(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-18,24H,9,19-23H2,1-2H3/t24-/m1/s1
InChIKeyUKPNTTADMXQGFG-XMMPIXPASA-N
MW426.60 g/mol
LogP5.90
Rot. Bonds10

About N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine

N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (PubChem CID 155690026) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
PubChem CID155690026
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC NameN-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCC2)cc1
InChIInChI=1S/C29H34N2O/c1-24(25-14-16-28(32-2)17-15-25)31(23-22-30-19-9-20-30)21-18-29(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-18,24H,9,19-23H2,1-2H3/t24-/m1/s1
InChIKeyUKPNTTADMXQGFG-XMMPIXPASA-N
XLogP5.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine (CID 155690026) is N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCC2)cc1.
What is the InChIKey of N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
The InChIKey is UKPNTTADMXQGFG-XMMPIXPASA-N. The full InChI is InChI=1S/C29H34N2O/c1-24(25-14-16-28(32-2)17-15-25)31(23-22-30-19-9-20-30)21-18-29(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-18,24H,9,19-23H2,1-2H3/t24-/m1/s1.
What are the key properties of N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine?
N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine has a molecular weight of 426.60 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)ethyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 155690026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).