3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine

C26H27N — CID 3462468

IUPAC3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
SMILESC(=Cc1ccccc1)CN(CC=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H27N/c1-4-12-24(13-5-1)18-10-21-27(23-20-26-16-8-3-9-17-26)22-11-19-25-14-6-2-7-15-25/h1-19H,20-23H2
InChIKeyDUOSCNPXDRFGLW-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.96
Rot. Bonds9

About 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine

3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine (PubChem CID 3462468) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
PubChem CID3462468
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
SMILESC(=Cc1ccccc1)CN(CC=Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H27N/c1-4-12-24(13-5-1)18-10-21-27(23-20-26-16-8-3-9-17-26)22-11-19-25-14-6-2-7-15-25/h1-19H,20-23H2
InChIKeyDUOSCNPXDRFGLW-UHFFFAOYSA-N
XLogP5.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
CID 102476940
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
N'-(3-phenylprop-2-enyl)-N'-propylethane-1,2-diamine
CID 57094572
(2E,4E)-N,N-dibenzyl-5-phenylpenta-2,4-dien-1-amine
CID 10783298
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
N-formyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 10702807

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine (CID 3462468) is 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine is C(=Cc1ccccc1)CN(CC=Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
The InChIKey is DUOSCNPXDRFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-4-12-24(13-5-1)18-10-21-27(23-20-26-16-8-3-9-17-26)22-11-19-25-14-6-2-7-15-25/h1-19H,20-23H2.
What are the key properties of 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine?
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine has a molecular weight of 353.51 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 3462468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).