1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine

C14H20ClNO3 — CID 90433394

IUPAC1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine
SMILESC=C(NC)O[C@H](C)[C@H](OCOC)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-10(19-11(2)16-3)14(18-9-17-4)12-7-5-6-8-13(12)15/h5-8,10,14,16H,2,9H2,1,3-4H3/t10-,14+/m1/s1
InChIKeyLLWAVHMTNLGITH-YGRLFVJLSA-N
MW285.77 g/mol
LogP3.10
Rot. Bonds8

About 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine

1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine (PubChem CID 90433394) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine.

Molecular Properties

Compound Name1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine
PubChem CID90433394
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine
SMILESC=C(NC)O[C@H](C)[C@H](OCOC)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-10(19-11(2)16-3)14(18-9-17-4)12-7-5-6-8-13(12)15/h5-8,10,14,16H,2,9H2,1,3-4H3/t10-,14+/m1/s1
InChIKeyLLWAVHMTNLGITH-YGRLFVJLSA-N
XLogP3.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine?
The IUPAC name of 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine (CID 90433394) is 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine.
What is the SMILES notation for 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine?
The canonical SMILES for 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine is C=C(NC)O[C@H](C)[C@H](OCOC)c1ccccc1Cl.
What is the InChIKey of 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine?
The InChIKey is LLWAVHMTNLGITH-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10(19-11(2)16-3)14(18-9-17-4)12-7-5-6-8-13(12)15/h5-8,10,14,16H,2,9H2,1,3-4H3/t10-,14+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine?
1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine has a molecular weight of 285.77 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxy-N-methylethenamine is sourced from PubChem (CID 90433394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).