1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

C12H18BrNO — CID 103762058

IUPAC1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2occc2Br)CC1
InChIInChI=1S/C12H18BrNO/c1-2-4-12(5-6-12)9-14-8-11-10(13)3-7-15-11/h3,7,14H,2,4-6,8-9H2,1H3
InChIKeyLFLSIVCHQPPLNT-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.71
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine

1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine (PubChem CID 103762058) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
PubChem CID103762058
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2occc2Br)CC1
InChIInChI=1S/C12H18BrNO/c1-2-4-12(5-6-12)9-14-8-11-10(13)3-7-15-11/h3,7,14H,2,4-6,8-9H2,1H3
InChIKeyLFLSIVCHQPPLNT-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine 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-[(2-Furylmethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 649993
(Furan-2-ylmethyl)(hexyl)amine
CID 4722616
Furan-2-ylmethyl-(4-methyl-cyclohexyl)-amine
CID 758102
N-(furan-2-ylmethyl)butan-1-amine
CID 263174
N-(furan-2-ylmethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 652125
(2Z)-N-(furan-2-ylmethyl)-3,7-dimethylocta-2,6-dien-1-amine
CID 1760682
(4E)-N-(furan-2-ylmethyl)-2,2,5,9-tetramethyldeca-4,8-dien-1-amine
CID 1761035
N-(tert-butyl)-N-(2-furylmethyl)amine
CID 4722608
N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 24229550
N-(furan-2-ylmethyl)propan-1-amine
CID 55759
[(Furan-2-yl)methyl](3-methylbutyl)amine hydrochloride
CID 17206950
[(5-Methylfuran-2-yl)methyl](4-methylpentyl)amine
CID 60743879

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine (CID 103762058) is 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine is CCCC1(CNCc2occc2Br)CC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The InChIKey is LFLSIVCHQPPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-4-12(5-6-12)9-14-8-11-10(13)3-7-15-11/h3,7,14H,2,4-6,8-9H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine?
1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine has a molecular weight of 272.19 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103762058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).