(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride

C22H28Cl2N2O2 — CID 174600223

IUPAC(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(N2C[C@@H](c3ccccc3)OC2O)CC1
InChIInChI=1S/C22H27ClN2O2.ClH/c23-18-8-4-7-17(13-18)22(15-24)11-9-19(10-12-22)25-14-20(27-21(25)26)16-5-2-1-3-6-16;/h1-8,13,19-21,26H,9-12,14-15,24H2;1H/t19?,20-,21?,22?;/m0./s1
InChIKeyHKMDZVDXQNMXKY-AOWAQRQUSA-N
MW423.38 g/mol
LogP4.25
Rot. Bonds4

About (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride

(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride (PubChem CID 174600223) has the molecular formula C22H28Cl2N2O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride.

Molecular Properties

Compound Name(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride
PubChem CID174600223
Molecular FormulaC22H28Cl2N2O2
Molecular Weight423.38 g/mol
Exact Mass422.15
IUPAC Name(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(N2C[C@@H](c3ccccc3)OC2O)CC1
InChIInChI=1S/C22H27ClN2O2.ClH/c23-18-8-4-7-17(13-18)22(15-24)11-9-19(10-12-22)25-14-20(27-21(25)26)16-5-2-1-3-6-16;/h1-8,13,19-21,26H,9-12,14-15,24H2;1H/t19?,20-,21?,22?;/m0./s1
InChIKeyHKMDZVDXQNMXKY-AOWAQRQUSA-N
XLogP4.25
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride 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-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-ol;hydrochloride
CID 174600043
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
4-[(4S)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-2-oxoimidazolidin-1-yl]benzoic acid;hydrochloride
CID 71184314
3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71184368
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-phenylpyridazin-3-one;hydrochloride
CID 71184621
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]benzimidazole-5-carboxamide;hydrochloride
CID 140604358
4-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]benzamide;hydrochloride
CID 71184532
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 71184328

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride?
The IUPAC name of (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride (CID 174600223) is (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride.
What is the SMILES notation for (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride?
The canonical SMILES for (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride is Cl.NCC1(c2cccc(Cl)c2)CCC(N2C[C@@H](c3ccccc3)OC2O)CC1.
What is the InChIKey of (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride?
The InChIKey is HKMDZVDXQNMXKY-AOWAQRQUSA-N. The full InChI is InChI=1S/C22H27ClN2O2.ClH/c23-18-8-4-7-17(13-18)22(15-24)11-9-19(10-12-22)25-14-20(27-21(25)26)16-5-2-1-3-6-16;/h1-8,13,19-21,26H,9-12,14-15,24H2;1H/t19?,20-,21?,22?;/m0./s1.
What are the key properties of (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride?
(5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride has a molecular weight of 423.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-5-phenyl-1,3-oxazolidin-2-ol;hydrochloride is sourced from PubChem (CID 174600223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).