N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H21F3N2 — CID 62861994

IUPACN-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(CC1CCC1)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-20(10-11-3-2-4-11)14(9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14H,2-4,9-10,19H2,1H3
InChIKeyRNQZCLQUZFWEMN-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.44
Rot. Bonds5

About N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 62861994) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID62861994
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(CC1CCC1)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-20(10-11-3-2-4-11)14(9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14H,2-4,9-10,19H2,1H3
InChIKeyRNQZCLQUZFWEMN-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 62861994) is N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(CC1CCC1)C(CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is RNQZCLQUZFWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-20(10-11-3-2-4-11)14(9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14H,2-4,9-10,19H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 62861994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).