N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine

C12H18FNO — CID 60977027

IUPACN-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-10(2)15-7-6-14-9-11-4-3-5-12(13)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyUQNJOHNZPJKLPV-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.34
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine

N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 60977027) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
PubChem CID60977027
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-10(2)15-7-6-14-9-11-4-3-5-12(13)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyUQNJOHNZPJKLPV-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine 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

azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
N-[(3-fluorophenyl)methyl]-3-(1-phenylethoxy)propan-1-amine
CID 78816669
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
N-[(4-chloro-3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588223
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723148
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine (CID 60977027) is N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine is CC(C)OCCNCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is UQNJOHNZPJKLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(2)15-7-6-14-9-11-4-3-5-12(13)8-11/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine?
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 211.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 60977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).