N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine

C17H28FNO — CID 63485327

IUPACN-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCC(C)CCC
InChIInChI=1S/C17H28FNO/c1-5-7-13(3)12-20-17-11-15(18)8-9-16(17)14(4)19-10-6-2/h8-9,11,13-14,19H,5-7,10,12H2,1-4H3
InChIKeyGPLYKDVFYDDQRD-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.70
Rot. Bonds9

About N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine

N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine (PubChem CID 63485327) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
PubChem CID63485327
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC NameN-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCC(C)CCC
InChIInChI=1S/C17H28FNO/c1-5-7-13(3)12-20-17-11-15(18)8-9-16(17)14(4)19-10-6-2/h8-9,11,13-14,19H,5-7,10,12H2,1-4H3
InChIKeyGPLYKDVFYDDQRD-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 55147255
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107695953
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63065346
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 66140310
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
CID 63066740

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine (CID 63485327) is N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(F)cc1OCC(C)CCC.
What is the InChIKey of N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is GPLYKDVFYDDQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-7-13(3)12-20-17-11-15(18)8-9-16(17)14(4)19-10-6-2/h8-9,11,13-14,19H,5-7,10,12H2,1-4H3.
What are the key properties of N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63485327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).