3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine

C13H20FNO — CID 115733033

IUPAC3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCC(C)Oc1ccccc1CNCCCF
InChIInChI=1S/C13H20FNO/c1-11(2)16-13-7-4-3-6-12(13)10-15-9-5-8-14/h3-4,6-7,11,15H,5,8-10H2,1-2H3
InChIKeyAUZJORGNBNBBBK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.92
Rot. Bonds7

About 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine

3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 115733033) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID115733033
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCC(C)Oc1ccccc1CNCCCF
InChIInChI=1S/C13H20FNO/c1-11(2)16-13-7-4-3-6-12(13)10-15-9-5-8-14/h3-4,6-7,11,15H,5,8-10H2,1-2H3
InChIKeyAUZJORGNBNBBBK-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-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

3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
3-methylsulfonyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904730
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618
N-[(2-propan-2-yloxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43225581
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
2-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60760080
2-[(3-fluoropropylamino)methyl]phenol
CID 115733014
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
2-(1,2,4-oxadiazol-3-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106396039
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine (CID 115733033) is 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine is CC(C)Oc1ccccc1CNCCCF.
What is the InChIKey of 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is AUZJORGNBNBBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-11(2)16-13-7-4-3-6-12(13)10-15-9-5-8-14/h3-4,6-7,11,15H,5,8-10H2,1-2H3.
What are the key properties of 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115733033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).