N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine

C12H18BrNO — CID 106889346

IUPACN-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1occc1Br
InChIInChI=1S/C12H18BrNO/c1-8(2)6-14-7-9-5-10(9)12-11(13)3-4-15-12/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyRHVXPNHDXZJIPT-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.39
Rot. Bonds5

About N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 106889346) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID106889346
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1occc1Br
InChIInChI=1S/C12H18BrNO/c1-8(2)6-14-7-9-5-10(9)12-11(13)3-4-15-12/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyRHVXPNHDXZJIPT-UHFFFAOYSA-N
XLogP3.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114078028
N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712454
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
CID 62712993
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62713530
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 106889346) is N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CC1c1occc1Br.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RHVXPNHDXZJIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)6-14-7-9-5-10(9)12-11(13)3-4-15-12/h3-4,8-10,14H,5-7H2,1-2H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106889346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).