N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine

C15H22FNO — CID 112610694

IUPACN-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
SMILESC=C(CC)COc1c(F)cccc1CNC(C)C
InChIInChI=1S/C15H22FNO/c1-5-12(4)10-18-15-13(9-17-11(2)3)7-6-8-14(15)16/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyGCHAMOXGFKFMAI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.67
Rot. Bonds7

About N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine

N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine (PubChem CID 112610694) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
PubChem CID112610694
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine
SMILESC=C(CC)COc1c(F)cccc1CNC(C)C
InChIInChI=1S/C15H22FNO/c1-5-12(4)10-18-15-13(9-17-11(2)3)7-6-8-14(15)16/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyGCHAMOXGFKFMAI-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 115955069
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
4-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 115955089
5-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylpentanenitrile
CID 115955004
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]propanenitrile
CID 112610702
N-[[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610621
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 115955140

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine (CID 112610694) is N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine is C=C(CC)COc1c(F)cccc1CNC(C)C.
What is the InChIKey of N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine?
The InChIKey is GCHAMOXGFKFMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-12(4)10-18-15-13(9-17-11(2)3)7-6-8-14(15)16/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-methylidenebutoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 112610694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).