1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C16H23F3N2 — CID 61208893

IUPAC1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCC(C)N1CCC(CNCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H23F3N2/c1-12(2)21-8-7-14(11-21)10-20-9-13-3-5-15(6-4-13)16(17,18)19/h3-6,12,14,20H,7-11H2,1-2H3
InChIKeyPWRYHUQOOQKDMW-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.53
Rot. Bonds5

About 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 61208893) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID61208893
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCC(C)N1CCC(CNCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H23F3N2/c1-12(2)21-8-7-14(11-21)10-20-9-13-3-5-15(6-4-13)16(17,18)19/h3-6,12,14,20H,7-11H2,1-2H3
InChIKeyPWRYHUQOOQKDMW-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 61208893) is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is CC(C)N1CCC(CNCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is PWRYHUQOOQKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(2)21-8-7-14(11-21)10-20-9-13-3-5-15(6-4-13)16(17,18)19/h3-6,12,14,20H,7-11H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 300.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 61208893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).