(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C22H21F4N — CID 70677067

IUPAC(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESC[C@@H](NC[C@H](F)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H21F4N/c1-15(20-11-5-8-17-7-2-3-10-21(17)20)27-14-19(23)13-16-6-4-9-18(12-16)22(24,25)26/h2-12,15,19,27H,13-14H2,1H3/t15-,19-/m1/s1
InChIKeyVMPAOONTFFRXEK-DNVCBOLYSA-N
MW375.41 g/mol
LogP6.09
Rot. Bonds6

About (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 70677067) has the molecular formula C22H21F4N and a molecular weight of 375.41 g/mol. Its IUPAC name is (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID70677067
Molecular FormulaC22H21F4N
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESC[C@@H](NC[C@H](F)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H21F4N/c1-15(20-11-5-8-17-7-2-3-10-21(17)20)27-14-19(23)13-16-6-4-9-18(12-16)22(24,25)26/h2-12,15,19,27H,13-14H2,1H3/t15-,19-/m1/s1
InChIKeyVMPAOONTFFRXEK-DNVCBOLYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.41
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 70677067) is (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine is C[C@@H](NC[C@H](F)Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is VMPAOONTFFRXEK-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H21F4N/c1-15(20-11-5-8-17-7-2-3-10-21(17)20)27-14-19(23)13-16-6-4-9-18(12-16)22(24,25)26/h2-12,15,19,27H,13-14H2,1H3/t15-,19-/m1/s1.
What are the key properties of (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
(2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 375.41 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 70677067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).