1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide

C13H17FN2O2 — CID 65464033

IUPAC1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(N)CC1
InChIInChI=1S/C13H17FN2O2/c1-16(12(17)13(15)6-7-13)8-9-18-11-4-2-10(14)3-5-11/h2-5H,6-9,15H2,1H3
InChIKeyFYKRDVJUUBNMQN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.15
Rot. Bonds5

About 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 65464033) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID65464033
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)C1(N)CC1
InChIInChI=1S/C13H17FN2O2/c1-16(12(17)13(15)6-7-13)8-9-18-11-4-2-10(14)3-5-11/h2-5H,6-9,15H2,1H3
InChIKeyFYKRDVJUUBNMQN-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
1-amino-N-[3-(4-chlorophenoxy)propyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119739903
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119695596
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66248870
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119274527
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide (CID 65464033) is 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCOc1ccc(F)cc1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is FYKRDVJUUBNMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16(12(17)13(15)6-7-13)8-9-18-11-4-2-10(14)3-5-11/h2-5H,6-9,15H2,1H3.
What are the key properties of 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 65464033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).