N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

C15H20F3N — CID 65420429

IUPACN-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)C1CC1C
InChIInChI=1S/C15H20F3N/c1-3-8-19-14(12-9-10(12)2)11-6-4-5-7-13(11)15(16,17)18/h4-7,10,12,14,19H,3,8-9H2,1-2H3
InChIKeyLENICQRCYPLGBH-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.40
Rot. Bonds5

About N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 65420429) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID65420429
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)C1CC1C
InChIInChI=1S/C15H20F3N/c1-3-8-19-14(12-9-10(12)2)11-6-4-5-7-13(11)15(16,17)18/h4-7,10,12,14,19H,3,8-9H2,1-2H3
InChIKeyLENICQRCYPLGBH-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708274
N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63559977
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625497

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 65420429) is N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccccc1C(F)(F)F)C1CC1C.
What is the InChIKey of N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is LENICQRCYPLGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-3-8-19-14(12-9-10(12)2)11-6-4-5-7-13(11)15(16,17)18/h4-7,10,12,14,19H,3,8-9H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65420429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).