methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride

C14H20ClNO2 — CID 45261511

IUPACmethyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(c2ccccc2)CC1CN(C)C.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-15(2)10-12-9-14(12,13(16)17-3)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;1H/t12?,14-;/m1./s1
InChIKeyOKXPSPGUYPUREQ-QQVJCTLCSA-N
MW269.77 g/mol
LogP2.10
Rot. Bonds4

About methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride

methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride (PubChem CID 45261511) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
PubChem CID45261511
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(c2ccccc2)CC1CN(C)C.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-15(2)10-12-9-14(12,13(16)17-3)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;1H/t12?,14-;/m1./s1
InChIKeyOKXPSPGUYPUREQ-QQVJCTLCSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride (CID 45261511) is methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride is COC(=O)[C@@]1(c2ccccc2)CC1CN(C)C.Cl.
What is the InChIKey of methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride?
The InChIKey is OKXPSPGUYPUREQ-QQVJCTLCSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-15(2)10-12-9-14(12,13(16)17-3)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;1H/t12?,14-;/m1./s1.
What are the key properties of methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride?
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45261511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).