N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine

C12H15F2NO — CID 63273332

IUPACN-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
SMILESFc1ccc(F)c(OCCNCC2CC2)c1
InChIInChI=1S/C12H15F2NO/c13-10-3-4-11(14)12(7-10)16-6-5-15-8-9-1-2-9/h3-4,7,9,15H,1-2,5-6,8H2
InChIKeyGMGMOESTWAPTGC-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.34
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine

N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine (PubChem CID 63273332) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
PubChem CID63273332
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
SMILESFc1ccc(F)c(OCCNCC2CC2)c1
InChIInChI=1S/C12H15F2NO/c13-10-3-4-11(14)12(7-10)16-6-5-15-8-9-1-2-9/h3-4,7,9,15H,1-2,5-6,8H2
InChIKeyGMGMOESTWAPTGC-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.34
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

N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
N-[2-(2,5-difluorophenoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55167560
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
3-(2,5-difluorophenoxy)propanal
CID 63269959
2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63273329
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine (CID 63273332) is N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine is Fc1ccc(F)c(OCCNCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
The InChIKey is GMGMOESTWAPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-3-4-11(14)12(7-10)16-6-5-15-8-9-1-2-9/h3-4,7,9,15H,1-2,5-6,8H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine?
N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine has a molecular weight of 227.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine is sourced from PubChem (CID 63273332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).