2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid

C15H19F3N2O5 — CID 68654471

IUPAC2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid
SMILESCN(CCOc1ccccc1C1(N)CC1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N2O3.C2HF3O2/c1-15(12(16)17)8-9-18-11-5-3-2-4-10(11)13(14)6-7-13;3-2(4,5)1(6)7/h2-5H,6-9,14H2,1H3,(H,16,17);(H,6,7)
InChIKeyYDNWLFCSRMFWAS-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.26
Rot. Bonds5

About 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid

2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 68654471) has the molecular formula C15H19F3N2O5 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid
PubChem CID68654471
Molecular FormulaC15H19F3N2O5
Molecular Weight364.32 g/mol
Exact Mass364.12
IUPAC Name2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid
SMILESCN(CCOc1ccccc1C1(N)CC1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N2O3.C2HF3O2/c1-15(12(16)17)8-9-18-11-5-3-2-4-10(11)13(14)6-7-13;3-2(4,5)1(6)7/h2-5H,6-9,14H2,1H3,(H,16,17);(H,6,7)
InChIKeyYDNWLFCSRMFWAS-UHFFFAOYSA-N
XLogP2.26
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
benzyl N-methyl-N-[2-[2-(1-methylcyclopropyl)phenoxy]ethyl]carbamate
CID 58072139
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119695596
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
4-[2-(2-fluorophenoxy)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992870
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119274527
2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 79805740
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
CID 130453663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid (CID 68654471) is 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid is CN(CCOc1ccccc1C1(N)CC1)C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YDNWLFCSRMFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.C2HF3O2/c1-15(12(16)17)8-9-18-11-5-3-2-4-10(11)13(14)6-7-13;3-2(4,5)1(6)7/h2-5H,6-9,14H2,1H3,(H,16,17);(H,6,7).
What are the key properties of 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid?
2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 364.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68654471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).