N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine

C15H24FNO — CID 107891159

IUPACN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCCCC(C)Oc1ccc(CNC(C)C)cc1F
InChIInChI=1S/C15H24FNO/c1-5-6-12(4)18-15-8-7-13(9-14(15)16)10-17-11(2)3/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyNDSCCDLIDZHPPV-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.89
Rot. Bonds7

About N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine

N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine (PubChem CID 107891159) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
PubChem CID107891159
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCCCC(C)Oc1ccc(CNC(C)C)cc1F
InChIInChI=1S/C15H24FNO/c1-5-6-12(4)18-15-8-7-13(9-14(15)16)10-17-11(2)3/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyNDSCCDLIDZHPPV-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-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-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013330
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 107457998
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
N-[(4-but-2-ynoxy-3-fluorophenyl)methyl]propan-2-amine
CID 107687869
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
1-(3-fluoro-4-pentan-2-yloxyphenyl)ethanone
CID 21105303
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine (CID 107891159) is N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine is CCCC(C)Oc1ccc(CNC(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine?
The InChIKey is NDSCCDLIDZHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-6-12(4)18-15-8-7-13(9-14(15)16)10-17-11(2)3/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine?
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 107891159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).