N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine

C19H30FNO — CID 135220259

IUPACN-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine
SMILESC=CCCCCNC(C)(C)c1ccc(F)c(OCC(C)C)c1
InChIInChI=1S/C19H30FNO/c1-6-7-8-9-12-21-19(4,5)16-10-11-17(20)18(13-16)22-14-15(2)3/h6,10-11,13,15,21H,1,7-9,12,14H2,2-5H3
InChIKeySTHYKBOKVGSZLB-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.04
Rot. Bonds10

About N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine

N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine (PubChem CID 135220259) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine.

Molecular Properties

Compound NameN-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine
PubChem CID135220259
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC NameN-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine
SMILESC=CCCCCNC(C)(C)c1ccc(F)c(OCC(C)C)c1
InChIInChI=1S/C19H30FNO/c1-6-7-8-9-12-21-19(4,5)16-10-11-17(20)18(13-16)22-14-15(2)3/h6,10-11,13,15,21H,1,7-9,12,14H2,2-5H3
InChIKeySTHYKBOKVGSZLB-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine?
The IUPAC name of N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine (CID 135220259) is N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine.
What is the SMILES notation for N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine?
The canonical SMILES for N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine is C=CCCCCNC(C)(C)c1ccc(F)c(OCC(C)C)c1.
What is the InChIKey of N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine?
The InChIKey is STHYKBOKVGSZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-6-7-8-9-12-21-19(4,5)16-10-11-17(20)18(13-16)22-14-15(2)3/h6,10-11,13,15,21H,1,7-9,12,14H2,2-5H3.
What are the key properties of N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine?
N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine has a molecular weight of 307.45 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]propan-2-yl]hex-5-en-1-amine is sourced from PubChem (CID 135220259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).