propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride

C14H19Cl2NO2 — CID 45261540

IUPACpropan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride
SMILESCC(C)OC(=O)[C@@]1(c2ccc(Cl)cc2)CC1CN.Cl
InChIInChI=1S/C14H18ClNO2.ClH/c1-9(2)18-13(17)14(7-11(14)8-16)10-3-5-12(15)6-4-10;/h3-6,9,11H,7-8,16H2,1-2H3;1H/t11?,14-;/m1./s1
InChIKeyOYJJYVNQJPKLIY-RVFDVJBWSA-N
MW304.22 g/mol
LogP2.93
Rot. Bonds4

About propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride

propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride (PubChem CID 45261540) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride
PubChem CID45261540
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Namepropan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride
SMILESCC(C)OC(=O)[C@@]1(c2ccc(Cl)cc2)CC1CN.Cl
InChIInChI=1S/C14H18ClNO2.ClH/c1-9(2)18-13(17)14(7-11(14)8-16)10-3-5-12(15)6-4-10;/h3-6,9,11H,7-8,16H2,1-2H3;1H/t11?,14-;/m1./s1
InChIKeyOYJJYVNQJPKLIY-RVFDVJBWSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride (CID 45261540) is propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride is CC(C)OC(=O)[C@@]1(c2ccc(Cl)cc2)CC1CN.Cl.
What is the InChIKey of propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride?
The InChIKey is OYJJYVNQJPKLIY-RVFDVJBWSA-N. The full InChI is InChI=1S/C14H18ClNO2.ClH/c1-9(2)18-13(17)14(7-11(14)8-16)10-3-5-12(15)6-4-10;/h3-6,9,11H,7-8,16H2,1-2H3;1H/t11?,14-;/m1./s1.
What are the key properties of propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride?
propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (1S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).