N-methyl-N-pentyl-4-(trifluoromethyl)aniline

C13H18F3N — CID 70866288

IUPACN-methyl-N-pentyl-4-(trifluoromethyl)aniline
SMILESCCCCCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-3-4-5-10-17(2)12-8-6-11(7-9-12)13(14,15)16/h6-9H,3-5,10H2,1-2H3
InChIKeySFWWBLFVWLSOKS-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.33
Rot. Bonds5

About N-methyl-N-pentyl-4-(trifluoromethyl)aniline

N-methyl-N-pentyl-4-(trifluoromethyl)aniline (PubChem CID 70866288) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N-methyl-N-pentyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-pentyl-4-(trifluoromethyl)aniline
PubChem CID70866288
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-methyl-N-pentyl-4-(trifluoromethyl)aniline
SMILESCCCCCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-3-4-5-10-17(2)12-8-6-11(7-9-12)13(14,15)16/h6-9H,3-5,10H2,1-2H3
InChIKeySFWWBLFVWLSOKS-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
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-methyl-N-pentyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-pentyl-4-(trifluoromethyl)aniline (CID 70866288) is N-methyl-N-pentyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-pentyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-pentyl-4-(trifluoromethyl)aniline is CCCCCN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-pentyl-4-(trifluoromethyl)aniline?
The InChIKey is SFWWBLFVWLSOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-3-4-5-10-17(2)12-8-6-11(7-9-12)13(14,15)16/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-methyl-N-pentyl-4-(trifluoromethyl)aniline?
N-methyl-N-pentyl-4-(trifluoromethyl)aniline has a molecular weight of 245.29 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 70866288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).