3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine

C9H18ClNO — CID 106437649

IUPAC3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
SMILESCCOCC(C)NCC(C)=CCl
InChIInChI=1S/C9H18ClNO/c1-4-12-7-9(3)11-6-8(2)5-10/h5,9,11H,4,6-7H2,1-3H3
InChIKeyVLXUNBXEISEMAW-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.14
Rot. Bonds6

About 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine

3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 106437649) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
PubChem CID106437649
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
SMILESCCOCC(C)NCC(C)=CCl
InChIInChI=1S/C9H18ClNO/c1-4-12-7-9(3)11-6-8(2)5-10/h5,9,11H,4,6-7H2,1-3H3
InChIKeyVLXUNBXEISEMAW-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine (CID 106437649) is 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine is CCOCC(C)NCC(C)=CCl.
What is the InChIKey of 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is VLXUNBXEISEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-4-12-7-9(3)11-6-8(2)5-10/h5,9,11H,4,6-7H2,1-3H3.
What are the key properties of 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine?
3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 191.70 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).