N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine

C22H28F3N — CID 67997803

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESC[C@@H](NCCCC1CCCC(C(F)(F)F)C1)c1cccc2ccccc12
InChIInChI=1S/C22H28F3N/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/h2-3,5,9-10,12-13,16-17,19,26H,4,6-8,11,14-15H2,1H3/t16-,17?,19?/m1/s1
InChIKeyGMWBBKISVXOSST-LRYGQEGESA-N
MW363.47 g/mol
LogP6.64
Rot. Bonds6

About N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 67997803) has the molecular formula C22H28F3N and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID67997803
Molecular FormulaC22H28F3N
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESC[C@@H](NCCCC1CCCC(C(F)(F)F)C1)c1cccc2ccccc12
InChIInChI=1S/C22H28F3N/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/h2-3,5,9-10,12-13,16-17,19,26H,4,6-8,11,14-15H2,1H3/t16-,17?,19?/m1/s1
InChIKeyGMWBBKISVXOSST-LRYGQEGESA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.47
LogP ≤ 56.64
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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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 67997803) is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine is C[C@@H](NCCCC1CCCC(C(F)(F)F)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is GMWBBKISVXOSST-LRYGQEGESA-N. The full InChI is InChI=1S/C22H28F3N/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/h2-3,5,9-10,12-13,16-17,19,26H,4,6-8,11,14-15H2,1H3/t16-,17?,19?/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 363.47 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 67997803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).