N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine

C15H20BrNO — CID 104771418

IUPACN-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C15H20BrNO/c16-8-9-17(13-5-6-13)11-12-7-10-18-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11H2
InChIKeyHYJUCMBVHREMDJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.41
Rot. Bonds5

About N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine

N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine (PubChem CID 104771418) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
PubChem CID104771418
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
SMILESBrCCN(CC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C15H20BrNO/c16-8-9-17(13-5-6-13)11-12-7-10-18-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11H2
InChIKeyHYJUCMBVHREMDJ-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
CID 104771493
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propan-1-amine
CID 113451450
3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide
CID 104768597
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
N-(2-bromoethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopropanamine
CID 80668709
2-[cyclopentyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]acetonitrile
CID 115883271
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-bromoethyl)cyclobutanamine
CID 102861027
N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226019
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine (CID 104771418) is N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine is BrCCN(CC1CCOc2ccccc21)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine?
The InChIKey is HYJUCMBVHREMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-8-9-17(13-5-6-13)11-12-7-10-18-15-4-2-1-3-14(12)15/h1-4,12-13H,5-11H2.
What are the key properties of N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine?
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine has a molecular weight of 310.23 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104771418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).