N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide

C15H20BrN3O — CID 111812086

IUPACN'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(c2cccc(Br)c2)CC1)N1CCOCC1
InChIInChI=1S/C15H20BrN3O/c16-13-3-1-2-12(10-13)15(4-5-15)11-18-14(17)19-6-8-20-9-7-19/h1-3,10H,4-9,11H2,(H2,17,18)
InChIKeyORNFRVDVWFXNFP-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.13
Rot. Bonds3

About N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide

N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide (PubChem CID 111812086) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
PubChem CID111812086
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(c2cccc(Br)c2)CC1)N1CCOCC1
InChIInChI=1S/C15H20BrN3O/c16-13-3-1-2-12(10-13)15(4-5-15)11-18-14(17)19-6-8-20-9-7-19/h1-3,10H,4-9,11H2,(H2,17,18)
InChIKeyORNFRVDVWFXNFP-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[1-(3-bromophenyl)cyclopropyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111812111
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[[1-(4-bromophenyl)cyclobutyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077358
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111080854
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
2-[[1-(3-bromophenyl)cyclopropyl]methyl]-1-(2-methylpropyl)guanidine
CID 111812092
N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111096268
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
N'-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-4-carboximidamide
CID 111818118
N-[3-[[amino(morpholin-4-yl)methylidene]amino]propyl]-3-bromobenzamide
CID 111094139
2-[[1-(3-bromophenyl)cyclobutyl]methyl]-1,1-diethylguanidine
CID 111077393

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide (CID 111812086) is N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide is N/C(=N\CC1(c2cccc(Br)c2)CC1)N1CCOCC1.
What is the InChIKey of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
The InChIKey is ORNFRVDVWFXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-3-1-2-12(10-13)15(4-5-15)11-18-14(17)19-6-8-20-9-7-19/h1-3,10H,4-9,11H2,(H2,17,18).
What are the key properties of N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide has a molecular weight of 338.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111812086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).