N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine

C13H19F2NO — CID 62783978

IUPACN-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCOc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-10(2)9-16-4-3-5-17-13-7-11(14)6-12(15)8-13/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyOGFSGGOZZWDHJD-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.98
Rot. Bonds7

About N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine

N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine (PubChem CID 62783978) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
PubChem CID62783978
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCOc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-10(2)9-16-4-3-5-17-13-7-11(14)6-12(15)8-13/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyOGFSGGOZZWDHJD-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.98
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

5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62784161
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
1,3-difluoro-5-methylbenzene;N'-(2-methylpropyl)propane-1,3-diamine
CID 142349945
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
N-[[5-[(3,5-difluorophenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558865
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine (CID 62783978) is N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine is CC(C)CNCCCOc1cc(F)cc(F)c1.
What is the InChIKey of N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine?
The InChIKey is OGFSGGOZZWDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-10(2)9-16-4-3-5-17-13-7-11(14)6-12(15)8-13/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine?
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62783978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).