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

C16H26FNO — CID 55192696

IUPACN-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCC(C)CC
InChIInChI=1S/C16H26FNO/c1-5-9-18-13(4)15-8-7-14(17)10-16(15)19-11-12(3)6-2/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3
InChIKeyZAXHTICIHCCMTR-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.31
Rot. Bonds8

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

N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine (PubChem CID 55192696) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
PubChem CID55192696
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCC(C)CC
InChIInChI=1S/C16H26FNO/c1-5-9-18-13(4)15-8-7-14(17)10-16(15)19-11-12(3)6-2/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3
InChIKeyZAXHTICIHCCMTR-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
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
1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 55147255
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
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-[(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
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine (CID 55192696) is N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(F)cc1OCC(C)CC.
What is the InChIKey of N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is ZAXHTICIHCCMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-9-18-13(4)15-8-7-14(17)10-16(15)19-11-12(3)6-2/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3.
What are the key properties of N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.31, 8 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-methylbutoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 55192696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).