2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine

C14H24BrNO — CID 65003976

IUPAC2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
SMILESCCN(Cc1ccco1)CC(CC)(CC)CBr
InChIInChI=1S/C14H24BrNO/c1-4-14(5-2,11-15)12-16(6-3)10-13-8-7-9-17-13/h7-9H,4-6,10-12H2,1-3H3
InChIKeyZPUFZMJKJQSNSI-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.30
Rot. Bonds8

About 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine

2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine (PubChem CID 65003976) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
PubChem CID65003976
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
SMILESCCN(Cc1ccco1)CC(CC)(CC)CBr
InChIInChI=1S/C14H24BrNO/c1-4-14(5-2,11-15)12-16(6-3)10-13-8-7-9-17-13/h7-9H,4-6,10-12H2,1-3H3
InChIKeyZPUFZMJKJQSNSI-UHFFFAOYSA-N
XLogP4.30
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.30
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

1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine
CID 65005420
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine (CID 65003976) is 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine is CCN(Cc1ccco1)CC(CC)(CC)CBr.
What is the InChIKey of 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine?
The InChIKey is ZPUFZMJKJQSNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-4-14(5-2,11-15)12-16(6-3)10-13-8-7-9-17-13/h7-9H,4-6,10-12H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine?
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine has a molecular weight of 302.26 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 65003976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).