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Levomilnacipran

C15H22N2O — CID 6917779

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
InChIKeyGJJFMKBJSRMPLA-DZGCQCFKSA-N
MW246.35 g/mol
LogP1.77
Rot. Bonds5

About Levomilnacipran

Levomilnacipran (PubChem CID 6917779) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameLevomilnacipran
PubChem CID6917779
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Namecis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN
InChIInChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
InChIKeyGJJFMKBJSRMPLA-DZGCQCFKSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropamide
CID 3775
N,N-Diethyl-2-phenylacetamide
CID 17076
Levomilnacipran Hydrochloride
CID 6917778
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 11622909
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148

Frequently Asked Questions

What is the IUPAC name of Levomilnacipran?
The IUPAC name of Levomilnacipran (CID 6917779) is cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for Levomilnacipran?
The canonical SMILES for Levomilnacipran is CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN.
What is the InChIKey of Levomilnacipran?
The InChIKey is GJJFMKBJSRMPLA-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of Levomilnacipran?
Levomilnacipran has a molecular weight of 246.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Levomilnacipran is sourced from PubChem (CID 6917779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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