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

C15H20F3N — CID 64986702

IUPACN-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C15H20F3N/c1-2-10-19-14(11-6-5-7-11)12-8-3-4-9-13(12)15(16,17)18/h3-4,8-9,11,14,19H,2,5-7,10H2,1H3
InChIKeySISLIXCTUJNBEE-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.55
Rot. Bonds5

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

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 64986702) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID64986702
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C15H20F3N/c1-2-10-19-14(11-6-5-7-11)12-8-3-4-9-13(12)15(16,17)18/h3-4,8-9,11,14,19H,2,5-7,10H2,1H3
InChIKeySISLIXCTUJNBEE-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 64986702) is N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccccc1C(F)(F)F)C1CCC1.
What is the InChIKey of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is SISLIXCTUJNBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-10-19-14(11-6-5-7-11)12-8-3-4-9-13(12)15(16,17)18/h3-4,8-9,11,14,19H,2,5-7,10H2,1H3.
What are the key properties of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 64986702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).