1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine

C11H21F2NO — CID 103082660

IUPAC1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCOCC(F)F
InChIInChI=1S/C11H21F2NO/c1-9(7-10-3-2-4-10)14-5-6-15-8-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyBEQGLDUDJDAUPW-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.44
Rot. Bonds8

About 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine

1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine (PubChem CID 103082660) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
PubChem CID103082660
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCOCC(F)F
InChIInChI=1S/C11H21F2NO/c1-9(7-10-3-2-4-10)14-5-6-15-8-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyBEQGLDUDJDAUPW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.44
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-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54961752
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine (CID 103082660) is 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine is CC(CC1CCC1)NCCOCC(F)F.
What is the InChIKey of 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
The InChIKey is BEQGLDUDJDAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(7-10-3-2-4-10)14-5-6-15-8-11(12)13/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine?
1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine has a molecular weight of 221.29 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 103082660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).