N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C27H24F3NO — CID 70269561

IUPACN-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESFC(F)(F)c1ccc(OC(CCNCc2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H24F3NO/c28-27(29,30)24-12-14-25(15-13-24)32-26(16-17-31-19-20-6-2-1-3-7-20)23-11-10-21-8-4-5-9-22(21)18-23/h1-15,18,26,31H,16-17,19H2
InChIKeyDHHAMAJUPQUWSZ-UHFFFAOYSA-N
MW435.49 g/mol
LogP7.16
Rot. Bonds8

About N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 70269561) has the molecular formula C27H24F3NO and a molecular weight of 435.49 g/mol. Its IUPAC name is N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID70269561
Molecular FormulaC27H24F3NO
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESFC(F)(F)c1ccc(OC(CCNCc2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H24F3NO/c28-27(29,30)24-12-14-25(15-13-24)32-26(16-17-31-19-20-6-2-1-3-7-20)23-11-10-21-8-4-5-9-22(21)18-23/h1-15,18,26,31H,16-17,19H2
InChIKeyDHHAMAJUPQUWSZ-UHFFFAOYSA-N
XLogP7.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 71664025
3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 159228228
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
N-hydroxy-3-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propanamide
CID 175586540
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
N-hydroxy-4-[2-[[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]ethoxy]benzamide
CID 171777098

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 70269561) is N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is FC(F)(F)c1ccc(OC(CCNCc2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is DHHAMAJUPQUWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3NO/c28-27(29,30)24-12-14-25(15-13-24)32-26(16-17-31-19-20-6-2-1-3-7-20)23-11-10-21-8-4-5-9-22(21)18-23/h1-15,18,26,31H,16-17,19H2.
What are the key properties of N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 435.49 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 70269561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).