6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine

C19H30F3NO — CID 163706257

IUPAC6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine
SMILESCCCN(CCCCCCOCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C19H30F3NO/c1-2-13-23(15-12-19(20,21)22)14-8-3-4-9-16-24-17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3
InChIKeyKFIFDVVWIRAJHW-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.43
Rot. Bonds13

About 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine

6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine (PubChem CID 163706257) has the molecular formula C19H30F3NO and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine.

Molecular Properties

Compound Name6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine
PubChem CID163706257
Molecular FormulaC19H30F3NO
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine
SMILESCCCN(CCCCCCOCc1ccccc1)CCC(F)(F)F
InChIInChI=1S/C19H30F3NO/c1-2-13-23(15-12-19(20,21)22)14-8-3-4-9-16-24-17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3
InChIKeyKFIFDVVWIRAJHW-UHFFFAOYSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.43
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine?
The IUPAC name of 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine (CID 163706257) is 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine.
What is the SMILES notation for 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine?
The canonical SMILES for 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine is CCCN(CCCCCCOCc1ccccc1)CCC(F)(F)F.
What is the InChIKey of 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine?
The InChIKey is KFIFDVVWIRAJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3NO/c1-2-13-23(15-12-19(20,21)22)14-8-3-4-9-16-24-17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3.
What are the key properties of 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine?
6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine has a molecular weight of 345.45 g/mol, XLogP of 5.43, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine is sourced from PubChem (CID 163706257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).