N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine

C15H22FNO — CID 107696527

IUPACN-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)ccc1OCC1CC1
InChIInChI=1S/C15H22FNO/c1-15(2,3)17-9-12-8-13(16)6-7-14(12)18-10-11-4-5-11/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyCSERLJFAVCDYPY-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107696527) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID107696527
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)ccc1OCC1CC1
InChIInChI=1S/C15H22FNO/c1-15(2,3)17-9-12-8-13(16)6-7-14(12)18-10-11-4-5-11/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyCSERLJFAVCDYPY-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
N-[[5-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058191
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-1-methylpyrrolidin-2-one
CID 107696564
N-[[5-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696647
[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060090

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 107696527) is N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(F)ccc1OCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CSERLJFAVCDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,3)17-9-12-8-13(16)6-7-14(12)18-10-11-4-5-11/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107696527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).