(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine

C25H27N — CID 102314157

IUPAC(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C)c(/C=C/CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C25H27N/c1-21-15-16-22(2)25(18-21)14-9-17-26(19-23-10-5-3-6-11-23)20-24-12-7-4-8-13-24/h3-16,18H,17,19-20H2,1-2H3/b14-9+
InChIKeyMBJPJVNEZGFTAC-NTEUORMPSA-N
MW341.50 g/mol
LogP6.02
Rot. Bonds7

About (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine

(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine (PubChem CID 102314157) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine
PubChem CID102314157
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C)c(/C=C/CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C25H27N/c1-21-15-16-22(2)25(18-21)14-9-17-26(19-23-10-5-3-6-11-23)20-24-12-7-4-8-13-24/h3-16,18H,17,19-20H2,1-2H3/b14-9+
InChIKeyMBJPJVNEZGFTAC-NTEUORMPSA-N
XLogP6.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-(2,5-dimethylphenyl)-5-phenylpent-1-en-3-ol
CID 155664993
N-benzyl-2-bromo-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 80679693
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
(E)-5-(2,5-dimethylphenyl)pent-4-enoic acid
CID 82076937
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
(2E,4E)-N,N-dibenzyl-5-phenylpenta-2,4-dien-1-amine
CID 10783298
chloro-[3-(2,5-dimethylphenyl)prop-2-enyl]silane
CID 152755500
(E)-4-(2,5-dimethylphenyl)but-3-enenitrile
CID 83695516
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
N-benzyl-N,2,5-trimethylaniline
CID 15439716
(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
CID 143503562
N-[3-(2,5-dimethylphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347970

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine (CID 102314157) is (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine is Cc1ccc(C)c(/C=C/CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is MBJPJVNEZGFTAC-NTEUORMPSA-N. The full InChI is InChI=1S/C25H27N/c1-21-15-16-22(2)25(18-21)14-9-17-26(19-23-10-5-3-6-11-23)20-24-12-7-4-8-13-24/h3-16,18H,17,19-20H2,1-2H3/b14-9+.
What are the key properties of (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine?
(E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 341.50 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-3-(2,5-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 102314157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).