N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine

C14H23BrN2O — CID 106889408

IUPACN-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C)C1c1occc1Br
InChIInChI=1S/C14H23BrN2O/c1-10(2)16-9-11-5-4-7-17(3)13(11)14-12(15)6-8-18-14/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyJWFQNAMYCBUBRU-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.42
Rot. Bonds4

About N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine

N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine (PubChem CID 106889408) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
PubChem CID106889408
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC NameN-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C)C1c1occc1Br
InChIInChI=1S/C14H23BrN2O/c1-10(2)16-9-11-5-4-7-17(3)13(11)14-12(15)6-8-18-14/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3
InChIKeyJWFQNAMYCBUBRU-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine 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

N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 106889418
2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
CID 106889460
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
N-[[2-(4-bromo-2-nitrophenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 114385764
2-(3-bromofuran-2-yl)-1-cyclopropylpiperidin-3-amine
CID 106889465
N-[[2-(4-cyclopropylphenyl)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 79977325
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
N-[[1-methyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 113329208
N-[[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]methyl]propan-2-amine
CID 79584333
N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 115525468

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine (CID 106889408) is N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(C)C1c1occc1Br.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
The InChIKey is JWFQNAMYCBUBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-10(2)16-9-11-5-4-7-17(3)13(11)14-12(15)6-8-18-14/h6,8,10-11,13,16H,4-5,7,9H2,1-3H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine?
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine has a molecular weight of 315.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106889408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).