N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine

C14H22FNO — CID 81106411

IUPACN-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCCF)cc1
InChIInChI=1S/C14H22FNO/c1-14(2,3)16-11-12-5-7-13(8-6-12)17-10-4-9-15/h5-8,16H,4,9-11H2,1-3H3
InChIKeyYNRUJIJVEHNGDL-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.31
Rot. Bonds6

About N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81106411) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID81106411
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCCF)cc1
InChIInChI=1S/C14H22FNO/c1-14(2,3)16-11-12-5-7-13(8-6-12)17-10-4-9-15/h5-8,16H,4,9-11H2,1-3H3
InChIKeyYNRUJIJVEHNGDL-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.31
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-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
CID 63062040
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413
1-(3-chloropropoxy)-4-[2-[4-(3-fluoropropoxy)phenyl]propan-2-yl]benzene
CID 121289647
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 81106411) is N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OCCCF)cc1.
What is the InChIKey of N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YNRUJIJVEHNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)16-11-12-5-7-13(8-6-12)17-10-4-9-15/h5-8,16H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81106411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).