N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine

C13H20FNO — CID 102986518

IUPACN-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1OCCNCC(C)C
InChIInChI=1S/C13H20FNO/c1-10(2)9-15-6-7-16-13-8-12(14)5-4-11(13)3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyAKIVDSLQUUVSOG-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine

N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine (PubChem CID 102986518) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
PubChem CID102986518
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)cc1OCCNCC(C)C
InChIInChI=1S/C13H20FNO/c1-10(2)9-15-6-7-16-13-8-12(14)5-4-11(13)3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyAKIVDSLQUUVSOG-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 102987235
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine (CID 102986518) is N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine is Cc1ccc(F)cc1OCCNCC(C)C.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine?
The InChIKey is AKIVDSLQUUVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)9-15-6-7-16-13-8-12(14)5-4-11(13)3/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine?
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 102986518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).