N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C24H25F3N2 — CID 58973525

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25F3N2/c1-17(22-11-5-8-19-7-2-3-10-23(19)22)28-21-12-13-29(16-21)15-18-6-4-9-20(14-18)24(25,26)27/h2-11,14,17,21,28H,12-13,15-16H2,1H3/t17-,21?/m1/s1
InChIKeyUJAGOJKYDYQNNW-OQHSHRKDSA-N
MW398.47 g/mol
LogP5.78
Rot. Bonds5

About N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 58973525) has the molecular formula C24H25F3N2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID58973525
Molecular FormulaC24H25F3N2
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESC[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25F3N2/c1-17(22-11-5-8-19-7-2-3-10-23(19)22)28-21-12-13-29(16-21)15-18-6-4-9-20(14-18)24(25,26)27/h2-11,14,17,21,28H,12-13,15-16H2,1H3/t17-,21?/m1/s1
InChIKeyUJAGOJKYDYQNNW-OQHSHRKDSA-N
XLogP5.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 58973525) is N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is C[C@@H](NC1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is UJAGOJKYDYQNNW-OQHSHRKDSA-N. The full InChI is InChI=1S/C24H25F3N2/c1-17(22-11-5-8-19-7-2-3-10-23(19)22)28-21-12-13-29(16-21)15-18-6-4-9-20(14-18)24(25,26)27/h2-11,14,17,21,28H,12-13,15-16H2,1H3/t17-,21?/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 398.47 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 58973525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).