(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine

C19H23NO2 — CID 119107695

IUPAC(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccc(CNC/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H23NO2/c1-15(11-16-7-5-4-6-8-16)13-20-14-17-9-10-18(21-2)19(12-17)22-3/h4-12,20H,13-14H2,1-3H3/b15-11+
InChIKeyCALUUOUHUYXVCR-RVDMUPIBSA-N
MW297.40 g/mol
LogP3.90
Rot. Bonds7

About (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine

(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 119107695) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID119107695
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccc(CNC/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H23NO2/c1-15(11-16-7-5-4-6-8-16)13-20-14-17-9-10-18(21-2)19(12-17)22-3/h4-12,20H,13-14H2,1-3H3/b15-11+
InChIKeyCALUUOUHUYXVCR-RVDMUPIBSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
N-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1-phenylmethanamine
CID 54847984
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
1-benzyl-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 8669526
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
[4-[(carbamoylamino)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 174233945
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylethanamine
CID 15326859
3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643968

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine (CID 119107695) is (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine is COc1ccc(CNC/C(C)=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is CALUUOUHUYXVCR-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(11-16-7-5-4-6-8-16)13-20-14-17-9-10-18(21-2)19(12-17)22-3/h4-12,20H,13-14H2,1-3H3/b15-11+.
What are the key properties of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 119107695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).