3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

C15H16BrNO — CID 43194576

IUPAC3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCC1CC1c1ccc(CNc2cccc(Br)c2)o1
InChIInChI=1S/C15H16BrNO/c1-10-7-14(10)15-6-5-13(18-15)9-17-12-4-2-3-11(16)8-12/h2-6,8,10,14,17H,7,9H2,1H3
InChIKeyOYBFISKGYZONIG-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.78
Rot. Bonds4

About 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (PubChem CID 43194576) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
PubChem CID43194576
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCC1CC1c1ccc(CNc2cccc(Br)c2)o1
InChIInChI=1S/C15H16BrNO/c1-10-7-14(10)15-6-5-13(18-15)9-17-12-4-2-3-11(16)8-12/h2-6,8,10,14,17H,7,9H2,1H3
InChIKeyOYBFISKGYZONIG-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline 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

3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
CID 43715050
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
CID 43693687
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
4-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-nitroaniline
CID 79753613
4-bromo-2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 81292277
4-bromo-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 107797227
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732667
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
CID 43746416
methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
CID 43321572

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The IUPAC name of 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (CID 43194576) is 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is CC1CC1c1ccc(CNc2cccc(Br)c2)o1.
What is the InChIKey of 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The InChIKey is OYBFISKGYZONIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10-7-14(10)15-6-5-13(18-15)9-17-12-4-2-3-11(16)8-12/h2-6,8,10,14,17H,7,9H2,1H3.
What are the key properties of 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline has a molecular weight of 306.20 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 43194576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).