3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine

C9H14ClNO — CID 61422654

IUPAC3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccoc1
InChIInChI=1S/C9H14ClNO/c1-11(5-2-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyQOBNKFVGPXLRHA-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.34
Rot. Bonds5

About 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine

3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine (PubChem CID 61422654) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
PubChem CID61422654
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
SMILESCN(CCCCl)Cc1ccoc1
InChIInChI=1S/C9H14ClNO/c1-11(5-2-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7H2,1H3
InChIKeyQOBNKFVGPXLRHA-UHFFFAOYSA-N
XLogP2.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine (CID 61422654) is 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine is CN(CCCCl)Cc1ccoc1.
What is the InChIKey of 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine?
The InChIKey is QOBNKFVGPXLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c1-11(5-2-4-10)7-9-3-6-12-8-9/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine?
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine has a molecular weight of 187.67 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 61422654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).