N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine

C15H22N2O3 — CID 106797815

IUPACN-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine
SMILESCCNC(C)C1(Cc2cc(OC)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H22N2O3/c1-4-16-11(2)15(5-6-15)10-12-7-13(17(18)19)9-14(8-12)20-3/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyWCOYZVUJTHCYKM-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.92
Rot. Bonds7

About N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine

N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine (PubChem CID 106797815) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine
PubChem CID106797815
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine
SMILESCCNC(C)C1(Cc2cc(OC)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H22N2O3/c1-4-16-11(2)15(5-6-15)10-12-7-13(17(18)19)9-14(8-12)20-3/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyWCOYZVUJTHCYKM-UHFFFAOYSA-N
XLogP2.92
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine (CID 106797815) is N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine is CCNC(C)C1(Cc2cc(OC)cc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine?
The InChIKey is WCOYZVUJTHCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16-11(2)15(5-6-15)10-12-7-13(17(18)19)9-14(8-12)20-3/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine?
N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine has a molecular weight of 278.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 106797815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).