N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine

C17H20BrNO — CID 65015644

IUPACN-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine
SMILESBrCC(CN(Cc1ccco1)C1CC1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c18-11-15(14-5-2-1-3-6-14)12-19(16-8-9-16)13-17-7-4-10-20-17/h1-7,10,15-16H,8-9,11-13H2
InChIKeyXHXFCKOVAAYFRM-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.42
Rot. Bonds7

About N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine

N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 65015644) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID65015644
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine
SMILESBrCC(CN(Cc1ccco1)C1CC1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c18-11-15(14-5-2-1-3-6-14)12-19(16-8-9-16)13-17-7-4-10-20-17/h1-7,10,15-16H,8-9,11-13H2
InChIKeyXHXFCKOVAAYFRM-UHFFFAOYSA-N
XLogP4.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
CID 62266490
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
1-N-cyclopentyl-1-N-(furan-2-ylmethyl)pentane-1,2-diamine
CID 102550766
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine (CID 65015644) is N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine is BrCC(CN(Cc1ccco1)C1CC1)c1ccccc1.
What is the InChIKey of N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is XHXFCKOVAAYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c18-11-15(14-5-2-1-3-6-14)12-19(16-8-9-16)13-17-7-4-10-20-17/h1-7,10,15-16H,8-9,11-13H2.
What are the key properties of N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine?
N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 334.26 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 65015644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).