N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

C15H23F3N2 — CID 63761738

IUPACN'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCC(CC)N(CCN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2/c1-3-14(4-2)20(10-9-19)11-12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,3-4,9-11,19H2,1-2H3
InChIKeyVYAGZJOEDGZOER-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.65
Rot. Bonds7

About N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 63761738) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID63761738
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCC(CC)N(CCN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2/c1-3-14(4-2)20(10-9-19)11-12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,3-4,9-11,19H2,1-2H3
InChIKeyVYAGZJOEDGZOER-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[pentan-3-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 62013930
N'-pentan-3-yl-N'-[[4-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 63762112
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
2-bromo-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80679836
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376
methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60965401
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 82870861
N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025

Frequently Asked Questions

What is the IUPAC name of N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (CID 63761738) is N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is CCC(CC)N(CCN)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is VYAGZJOEDGZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-3-14(4-2)20(10-9-19)11-12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,3-4,9-11,19H2,1-2H3.
What are the key properties of N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-3-yl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 63761738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).