(1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine

C30H33F3N2 — CID 70294091

About (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine

(1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine (PubChem CID 70294091) has the molecular formula C30H33F3N2 and a molecular weight of 478.60 g/mol. Its IUPAC name is (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine.

Molecular Properties

• Compound Name: (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
• PubChem CID: 70294091
• Molecular Formula: C30H33F3N2
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.26
• IUPAC Name: (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
• SMILES: C=C(NC)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1
• InChI: InChI=1S/C30H33F3N2/c1-21(34-2)29(24-9-4-3-5-10-24)35-28(26-16-15-23-8-6-7-11-25(23)20-26)19-14-22-12-17-27(18-13-22)30(31,32)33/h3-5,9-10,12-13,15-18,20,28-29,34-35H,1,6-8,11,14,19H2,2H3/t28-,29+/m1/s1
• InChIKey: UICXNKWCWIVLKT-WDYNHAJCSA-N
• XLogP: 7.32
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?

The IUPAC name of (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine (CID 70294091) is (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine.

What is the SMILES notation for (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?

The canonical SMILES for (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine is C=C(NC)[C@H](N[C@H](CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1.

What is the InChIKey of (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?

The InChIKey is UICXNKWCWIVLKT-WDYNHAJCSA-N. The full InChI is InChI=1S/C30H33F3N2/c1-21(34-2)29(24-9-4-3-5-10-24)35-28(26-16-15-23-8-6-7-11-25(23)20-26)19-14-22-12-17-27(18-13-22)30(31,32)33/h3-5,9-10,12-13,15-18,20,28-29,34-35H,1,6-8,11,14,19H2,2H3/t28-,29+/m1/s1.

What are the key properties of (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?

(1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine has a molecular weight of 478.60 g/mol, XLogP of 7.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-N-methyl-1-phenyl-1-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 70294091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).