(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol

C23H26N2O2 — CID 54119499

IUPAC(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol
SMILESCOc1cccc([C@]2(O)CCc3cc4ccccc4nc3[C@@H]2CN(C)C)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)15-20-22-17(13-16-7-4-5-10-21(16)24-22)11-12-23(20,26)18-8-6-9-19(14-18)27-3/h4-10,13-14,20,26H,11-12,15H2,1-3H3/t20-,23+/m0/s1
InChIKeyNMQKTRHEXKNXNX-NZQKXSOJSA-N
MW362.47 g/mol
LogP3.72
Rot. Bonds4

About (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol

(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol (PubChem CID 54119499) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol
PubChem CID54119499
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol
SMILESCOc1cccc([C@]2(O)CCc3cc4ccccc4nc3[C@@H]2CN(C)C)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)15-20-22-17(13-16-7-4-5-10-21(16)24-22)11-12-23(20,26)18-8-6-9-19(14-18)27-3/h4-10,13-14,20,26H,11-12,15H2,1-3H3/t20-,23+/m0/s1
InChIKeyNMQKTRHEXKNXNX-NZQKXSOJSA-N
XLogP3.72
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol 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

cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
trans-(3R,4S)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexan-1-one
CID 54519657
trans-(3R,4S)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one
CID 67309947
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ol;hydrochloride
CID 11725292
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
(4E)-4-benzylidene-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 18980455
3-[2-(dimethylamino)ethyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexan-1-one
CID 139741211
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
(1S,2R,3R,5R)-2-[(dimethylamino)methyl]-3-(3-methoxyphenyl)bicyclo[3.2.1]octan-3-ol
CID 149029383
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 2-hydroxybenzoate
CID 69135770
(3R,4S)-3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol;hydrochloride
CID 3088837
3-[(dimethylamino)methyl]-2-(3-methoxyphenyl)bicyclo[4.2.0]octan-2-ol
CID 123593533

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol?
The IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol (CID 54119499) is (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol.
What is the SMILES notation for (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol?
The canonical SMILES for (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol is COc1cccc([C@]2(O)CCc3cc4ccccc4nc3[C@@H]2CN(C)C)c1.
What is the InChIKey of (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol?
The InChIKey is NMQKTRHEXKNXNX-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)15-20-22-17(13-16-7-4-5-10-21(16)24-22)11-12-23(20,26)18-8-6-9-19(14-18)27-3/h4-10,13-14,20,26H,11-12,15H2,1-3H3/t20-,23+/m0/s1.
What are the key properties of (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol?
(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol has a molecular weight of 362.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol is sourced from PubChem (CID 54119499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).