2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine

C9H18ClNO2 — CID 103179451

IUPAC2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCCOCCCOC
InChIInChI=1S/C9H18ClNO2/c1-9(10)8-11-4-7-13-6-3-5-12-2/h11H,1,3-8H2,2H3
InChIKeyVFLAENTWDIWWOL-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.38
Rot. Bonds9

About 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine

2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine (PubChem CID 103179451) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
PubChem CID103179451
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCCOCCCOC
InChIInChI=1S/C9H18ClNO2/c1-9(10)8-11-4-7-13-6-3-5-12-2/h11H,1,3-8H2,2H3
InChIKeyVFLAENTWDIWWOL-UHFFFAOYSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropoxy)ethylamino]-N-methylacetamide
CID 103178535
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 62566842
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine
CID 103179449
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
2-(3-methoxypropylamino)acetyl chloride
CID 174793252
2-[2-(2-methoxyethoxy)ethylamino]acetic acid
CID 58383949
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine (CID 103179451) is 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine is C=C(Cl)CNCCOCCCOC.
What is the InChIKey of 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine?
The InChIKey is VFLAENTWDIWWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-9(10)8-11-4-7-13-6-3-5-12-2/h11H,1,3-8H2,2H3.
What are the key properties of 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine?
2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine has a molecular weight of 207.70 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103179451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).