4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol

C21H26N2O2 — CID 122179922

IUPAC4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol
SMILESC#CCN(C)[C@H](C)Cc1ccc(NCc2cc(OC)ccc2O)cc1
InChIInChI=1S/C21H26N2O2/c1-5-12-23(3)16(2)13-17-6-8-19(9-7-17)22-15-18-14-20(25-4)10-11-21(18)24/h1,6-11,14,16,22,24H,12-13,15H2,2-4H3/t16-/m1/s1
InChIKeyUYBCOVGYWOKASH-MRXNPFEDSA-N
MW338.45 g/mol
LogP3.51
Rot. Bonds8

About 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol

4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol (PubChem CID 122179922) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol
PubChem CID122179922
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol
SMILESC#CCN(C)[C@H](C)Cc1ccc(NCc2cc(OC)ccc2O)cc1
InChIInChI=1S/C21H26N2O2/c1-5-12-23(3)16(2)13-17-6-8-19(9-7-17)22-15-18-14-20(25-4)10-11-21(18)24/h1,6-11,14,16,22,24H,12-13,15H2,2-4H3/t16-/m1/s1
InChIKeyUYBCOVGYWOKASH-MRXNPFEDSA-N
XLogP3.51
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol 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

2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
2-{[(2-Fluorophenyl)amino]methyl}-4-methoxyphenol
CID 4447506
2-[(Butyl{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}amino)methyl]-4-(trifluoromethoxy)phenol
CID 16049537
N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
CID 2772097
N-(2-hydroxy-5-methoxybenzyl)aniline
CID 13580474
Alpha-(P-phenetidino)-O-cresol
CID 853654
Cambridge id 5411429
CID 782011
2,3-dihydro-1H-inden-5-yl(2,5-dimethoxybenzyl)amine
CID 784087
4-[(2-Ethoxybenzyl)amino]phenol
CID 833983
6-(4-Methoxyanilino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 23635861
1-[(2-Methoxyphenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
CID 50994662
2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol
CID 122179919

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol (CID 122179922) is 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol is C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(OC)ccc2O)cc1.
What is the InChIKey of 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol?
The InChIKey is UYBCOVGYWOKASH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-12-23(3)16(2)13-17-6-8-19(9-7-17)22-15-18-14-20(25-4)10-11-21(18)24/h1,6-11,14,16,22,24H,12-13,15H2,2-4H3/t16-/m1/s1.
What are the key properties of 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol?
4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol has a molecular weight of 338.45 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[4-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]anilino]methyl]phenol is sourced from PubChem (CID 122179922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).