2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine

C15H26BrNO — CID 65005420

IUPAC2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)Cc1ccco1
InChIInChI=1S/C15H26BrNO/c1-4-8-15(12-16,9-5-2)13-17(3)11-14-7-6-10-18-14/h6-7,10H,4-5,8-9,11-13H2,1-3H3
InChIKeyXZHDADKPTCUCOI-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.69
Rot. Bonds9

About 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine

2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 65005420) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine
PubChem CID65005420
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)Cc1ccco1
InChIInChI=1S/C15H26BrNO/c1-4-8-15(12-16,9-5-2)13-17(3)11-14-7-6-10-18-14/h6-7,10H,4-5,8-9,11-13H2,1-3H3
InChIKeyXZHDADKPTCUCOI-UHFFFAOYSA-N
XLogP4.69
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 55056222
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
N-(furan-2-ylmethyl)-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200291
N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998378
3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526581
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine (CID 65005420) is 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine is CCCC(CBr)(CCC)CN(C)Cc1ccco1.
What is the InChIKey of 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is XZHDADKPTCUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-4-8-15(12-16,9-5-2)13-17(3)11-14-7-6-10-18-14/h6-7,10H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine?
2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 316.28 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 65005420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).