1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine

C15H23F3N2 — CID 81491313

IUPAC1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-11(2)14(19)8-9-20(3)10-12-6-4-5-7-13(12)15(16,17)18/h4-7,11,14H,8-10,19H2,1-3H3
InChIKeyUDAMMYBYMKZGJB-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.51
Rot. Bonds6

About 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine

1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine (PubChem CID 81491313) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
PubChem CID81491313
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-11(2)14(19)8-9-20(3)10-12-6-4-5-7-13(12)15(16,17)18/h4-7,11,14H,8-10,19H2,1-3H3
InChIKeyUDAMMYBYMKZGJB-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-3-methylidene-1-phenylpent-4-en-1-amine
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1-Methyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
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1-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine (CID 81491313) is 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine?
The InChIKey is UDAMMYBYMKZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-11(2)14(19)8-9-20(3)10-12-6-4-5-7-13(12)15(16,17)18/h4-7,11,14H,8-10,19H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine is sourced from PubChem (CID 81491313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).