4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine

C25H25NO2 — CID 126744122

IUPAC4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine
SMILESCNC(C#Cc1ccc(OC)cc1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-26-23(13-8-20-9-14-24(27-2)15-10-20)18-21-11-16-25(17-12-21)28-19-22-6-4-3-5-7-22/h3-7,9-12,14-17,23,26H,18-19H2,1-2H3
InChIKeyGYZDPGNXQFBJLE-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.46
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine

4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine (PubChem CID 126744122) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine
PubChem CID126744122
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine
SMILESCNC(C#Cc1ccc(OC)cc1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-26-23(13-8-20-9-14-24(27-2)15-10-20)18-21-11-16-25(17-12-21)28-19-22-6-4-3-5-7-22/h3-7,9-12,14-17,23,26H,18-19H2,1-2H3
InChIKeyGYZDPGNXQFBJLE-UHFFFAOYSA-N
XLogP4.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
(2R,3S)-2-benzyl-3-(4-methoxyphenyl)-5-phenylpent-4-yn-1-ol
CID 56834337
1-(2-methylhex-3-ynyl)-4-phenylmethoxybenzene
CID 83932957
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
1-(4-methoxyphenyl)-N-[3-(3-phenylmethoxyphenyl)propyl]propan-2-amine
CID 110185374
2-(4-methoxyphenyl)ethynyl-triphenylphosphanium
CID 23415442
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
methyl (2S)-2-[[(2S)-2-chloropropanoyl]-[(4-methoxyphenyl)methyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 56642546
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine (CID 126744122) is 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine is CNC(C#Cc1ccc(OC)cc1)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine?
The InChIKey is GYZDPGNXQFBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26-23(13-8-20-9-14-24(27-2)15-10-20)18-21-11-16-25(17-12-21)28-19-22-6-4-3-5-7-22/h3-7,9-12,14-17,23,26H,18-19H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine?
4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine has a molecular weight of 371.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine is sourced from PubChem (CID 126744122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).