N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C22H26F3N — CID 75180909

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCCC2
InChIInChI=1S/C22H26F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h4-5,7,10-11,13,15-16,26H,2-3,6,8-9,12,14H2,1H3
InChIKeyDYEQMULKZQBEKD-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.87
Rot. Bonds6

About N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 75180909) has the molecular formula C22H26F3N and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID75180909
Molecular FormulaC22H26F3N
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCCC2
InChIInChI=1S/C22H26F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h4-5,7,10-11,13,15-16,26H,2-3,6,8-9,12,14H2,1H3
InChIKeyDYEQMULKZQBEKD-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[1-[3-[3-(trifluoromethyl)phenyl]propylamino]ethyl]-1-benzothiophen-5-yl]methanol
CID 68817730
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3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen
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(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
N-[(1R)-1-naphthalen-1-ylethyl]-3-[2,3,4,6-tetradeuterio-5-(trifluoromethyl)phenyl]propan-1-amine
CID 46241260
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 75180909) is N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine is CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DYEQMULKZQBEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h4-5,7,10-11,13,15-16,26H,2-3,6,8-9,12,14H2,1H3.
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 361.45 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 75180909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).