N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine

C13H18FNO — CID 102987275

IUPACN-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
SMILESCc1ccc(F)cc1OCCNCC1CC1
InChIInChI=1S/C13H18FNO/c1-10-2-5-12(14)8-13(10)16-7-6-15-9-11-3-4-11/h2,5,8,11,15H,3-4,6-7,9H2,1H3
InChIKeyDBGPEFPGZOVVTI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine

N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine (PubChem CID 102987275) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
PubChem CID102987275
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
SMILESCc1ccc(F)cc1OCCNCC1CC1
InChIInChI=1S/C13H18FNO/c1-10-2-5-12(14)8-13(10)16-7-6-15-9-11-3-4-11/h2,5,8,11,15H,3-4,6-7,9H2,1H3
InChIKeyDBGPEFPGZOVVTI-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
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-(2,5-difluorophenoxy)ethanamine
CID 63273332
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 102987235
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
3-(5-fluoro-2-methylphenoxy)propanethioamide
CID 102981847
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine (CID 102987275) is N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine is Cc1ccc(F)cc1OCCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
The InChIKey is DBGPEFPGZOVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-2-5-12(14)8-13(10)16-7-6-15-9-11-3-4-11/h2,5,8,11,15H,3-4,6-7,9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine is sourced from PubChem (CID 102987275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).