2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride

C10H20ClF2NO — CID 126845171

IUPAC2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride
SMILESCCNCCOCC1C(C)(C)C1(F)F.Cl
InChIInChI=1S/C10H19F2NO.ClH/c1-4-13-5-6-14-7-8-9(2,3)10(8,11)12;/h8,13H,4-7H2,1-3H3;1H
InChIKeyUUWXAFIPGIUTKB-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.33
Rot. Bonds6

About 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride

2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride (PubChem CID 126845171) has the molecular formula C10H20ClF2NO and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride
PubChem CID126845171
Molecular FormulaC10H20ClF2NO
Molecular Weight243.72 g/mol
Exact Mass243.12
IUPAC Name2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride
SMILESCCNCCOCC1C(C)(C)C1(F)F.Cl
InChIInChI=1S/C10H19F2NO.ClH/c1-4-13-5-6-14-7-8-9(2,3)10(8,11)12;/h8,13H,4-7H2,1-3H3;1H
InChIKeyUUWXAFIPGIUTKB-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853
N-ethyl-2-(2-fluoroethoxy)ethanamine
CID 80696414
ethane;N-ethyl-2-methoxyethanamine
CID 53486475
2-(ethylamino)ethyl hypofluorite
CID 87274777
ethane;O-[2-(ethylamino)ethyl]hydroxylamine
CID 172573292
2-(2,2-dimethylpropoxy)-N-ethylethanamine
CID 126704889
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
CID 155751833
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride?
The IUPAC name of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride (CID 126845171) is 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride?
The canonical SMILES for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride is CCNCCOCC1C(C)(C)C1(F)F.Cl.
What is the InChIKey of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride?
The InChIKey is UUWXAFIPGIUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO.ClH/c1-4-13-5-6-14-7-8-9(2,3)10(8,11)12;/h8,13H,4-7H2,1-3H3;1H.
What are the key properties of 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride?
2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride has a molecular weight of 243.72 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 126845171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).