N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine

C18H30FNO — CID 58019338

IUPACN-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine
SMILESCCCN(CCF)CCCCCCOCc1ccccc1
InChIInChI=1S/C18H30FNO/c1-2-13-20(15-12-19)14-8-3-4-9-16-21-17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3
InChIKeyNTGVYTBYNTWKGS-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.45
Rot. Bonds13

About N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine

N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine (PubChem CID 58019338) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine
PubChem CID58019338
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine
SMILESCCCN(CCF)CCCCCCOCc1ccccc1
InChIInChI=1S/C18H30FNO/c1-2-13-20(15-12-19)14-8-3-4-9-16-21-17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3
InChIKeyNTGVYTBYNTWKGS-UHFFFAOYSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine (CID 58019338) is N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine is CCCN(CCF)CCCCCCOCc1ccccc1.
What is the InChIKey of N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine?
The InChIKey is NTGVYTBYNTWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-2-13-20(15-12-19)14-8-3-4-9-16-21-17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3.
What are the key properties of N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine?
N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.45, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-phenylmethoxy-N-propylhexan-1-amine is sourced from PubChem (CID 58019338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).