4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol

C18H23NO3 — CID 174651155

IUPAC4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
SMILESNCC(CCc1ccc(O)cc1)CC(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c19-12-14(2-1-13-3-7-16(20)8-4-13)11-18(22)15-5-9-17(21)10-6-15/h3-10,14,18,20-22H,1-2,11-12,19H2
InChIKeyBPLVCRZUSKRWSY-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.73
Rot. Bonds7

About 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol

4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol (PubChem CID 174651155) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
PubChem CID174651155
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol
SMILESNCC(CCc1ccc(O)cc1)CC(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c19-12-14(2-1-13-3-7-16(20)8-4-13)11-18(22)15-5-9-17(21)10-6-15/h3-10,14,18,20-22H,1-2,11-12,19H2
InChIKeyBPLVCRZUSKRWSY-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]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-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium
CID 38988422
4-(2-aminoethyl)phenol;4-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 67313836
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid
CID 69268566
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol?
The IUPAC name of 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol (CID 174651155) is 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol.
What is the SMILES notation for 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol?
The canonical SMILES for 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol is NCC(CCc1ccc(O)cc1)CC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol?
The InChIKey is BPLVCRZUSKRWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c19-12-14(2-1-13-3-7-16(20)8-4-13)11-18(22)15-5-9-17(21)10-6-15/h3-10,14,18,20-22H,1-2,11-12,19H2.
What are the key properties of 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol?
4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5-hydroxy-5-(4-hydroxyphenyl)pentyl]phenol is sourced from PubChem (CID 174651155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).