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

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Related Compounds

1-(3-bromofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991674
1-(furan-2-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115696278
N-[(3-bromofuran-2-yl)methyl]but-2-yn-1-amine
CID 103868568
1-(3-bromofuran-2-yl)-N-methoxymethanamine
CID 106885458
4-[[(1-propylcyclopropyl)methylamino]methyl]benzene-1,2,3-triol
CID 113357947
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
N-[(3-bromofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210704
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
1-N-[(3-bromofuran-2-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 103675307
3-[(3-bromofuran-2-yl)methylamino]-2,2-dimethylpropanenitrile
CID 104587447
N-[(3-bromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103675162

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).