3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

C17H24Cl2N2O2 — CID 71184368

IUPAC3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCC1COC(=O)N1C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-12-10-22-16(21)20(12)15-5-7-17(11-19,8-6-15)13-3-2-4-14(18)9-13;/h2-4,9,12,15H,5-8,10-11,19H2,1H3;1H
InChIKeyJKFUSHYUQGSOIU-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.74
Rot. Bonds3

About 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 71184368) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
PubChem CID71184368
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCC1COC(=O)N1C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-12-10-22-16(21)20(12)15-5-7-17(11-19,8-6-15)13-3-2-4-14(18)9-13;/h2-4,9,12,15H,5-8,10-11,19H2,1H3;1H
InChIKeyJKFUSHYUQGSOIU-UHFFFAOYSA-N
XLogP3.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (CID 71184368) is 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is CC1COC(=O)N1C1CCC(CN)(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is JKFUSHYUQGSOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c1-12-10-22-16(21)20(12)15-5-7-17(11-19,8-6-15)13-3-2-4-14(18)9-13;/h2-4,9,12,15H,5-8,10-11,19H2,1H3;1H.
What are the key properties of 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?
3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 71184368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).