N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine

C14H19F2NO — CID 112554498

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-3-18-12-7-11(8-12)17-9(2)13-6-10(15)4-5-14(13)16/h4-6,9,11-12,17H,3,7-8H2,1-2H3
InChIKeyMMNUQSHJXNTNNI-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine (PubChem CID 112554498) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
PubChem CID112554498
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-3-18-12-7-11(8-12)17-9(2)13-6-10(15)4-5-14(13)16/h4-6,9,11-12,17H,3,7-8H2,1-2H3
InChIKeyMMNUQSHJXNTNNI-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
CID 112553182
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776807
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
1-(2,5-difluorophenyl)-N-ethoxyethanamine
CID 115282507
N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 115903398
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine (CID 112554498) is N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NC(C)c2cc(F)ccc2F)C1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is MMNUQSHJXNTNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-18-12-7-11(8-12)17-9(2)13-6-10(15)4-5-14(13)16/h4-6,9,11-12,17H,3,7-8H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine?
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 112554498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).