N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine

C13H19F2NO — CID 28726567

IUPACN-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-10(2)17-7-3-6-16-9-11-4-5-12(14)8-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyRLFJNUOYXKWQAR-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.87
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 28726567) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID28726567
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-10(2)17-7-3-6-16-9-11-4-5-12(14)8-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyRLFJNUOYXKWQAR-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-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-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726559
4-[(3-propan-2-yloxypropylamino)methyl]benzene-1,3-diol
CID 28726669
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 124869723
N-[(2,4-difluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632808
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
N-[(2,4-difluorophenyl)methyl]pent-4-yn-1-amine
CID 115656482
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 62134218
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
N-[(2,4-difluorophenyl)methyl]hex-5-yn-1-amine
CID 115694209

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine (CID 28726567) is N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is RLFJNUOYXKWQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-10(2)17-7-3-6-16-9-11-4-5-12(14)8-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 28726567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).