4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol

C22H29NO — CID 145300143

IUPAC4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol
SMILESC/C=C\c1c(CC(C)NCCc2ccc(O)cc2)ccc(C)c1C
InChIInChI=1S/C22H29NO/c1-5-6-22-18(4)16(2)7-10-20(22)15-17(3)23-14-13-19-8-11-21(24)12-9-19/h5-12,17,23-24H,13-15H2,1-4H3/b6-5-
InChIKeyLACVSHCTHVTBKQ-WAYWQWQTSA-N
MW323.48 g/mol
LogP4.81
Rot. Bonds7

About 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol

4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol (PubChem CID 145300143) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol
PubChem CID145300143
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol
SMILESC/C=C\c1c(CC(C)NCCc2ccc(O)cc2)ccc(C)c1C
InChIInChI=1S/C22H29NO/c1-5-6-22-18(4)16(2)7-10-20(22)15-17(3)23-14-13-19-8-11-21(24)12-9-19/h5-12,17,23-24H,13-15H2,1-4H3/b6-5-
InChIKeyLACVSHCTHVTBKQ-WAYWQWQTSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]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

4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
4-[2-(3-methylpentan-2-ylamino)ethyl]phenol
CID 61236728
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
3-fluoro-4-[2-[4-(4-fluorophenyl)butan-2-ylamino]ethyl]phenol
CID 57026283
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol (CID 145300143) is 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol is C/C=C\c1c(CC(C)NCCc2ccc(O)cc2)ccc(C)c1C.
What is the InChIKey of 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol?
The InChIKey is LACVSHCTHVTBKQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C22H29NO/c1-5-6-22-18(4)16(2)7-10-20(22)15-17(3)23-14-13-19-8-11-21(24)12-9-19/h5-12,17,23-24H,13-15H2,1-4H3/b6-5-.
What are the key properties of 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol?
4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol has a molecular weight of 323.48 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 145300143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).