N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C15H17F3N2 — CID 60892912

IUPACN'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CC(N)c1cccc2ccccc12)CC(F)(F)F
InChIInChI=1S/C15H17F3N2/c1-20(10-15(16,17)18)9-14(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10,19H2,1H3
InChIKeyOBNYEWJXZPDPJA-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.33
Rot. Bonds4

About N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 60892912) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID60892912
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC NameN'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CC(N)c1cccc2ccccc12)CC(F)(F)F
InChIInChI=1S/C15H17F3N2/c1-20(10-15(16,17)18)9-14(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10,19H2,1H3
InChIKeyOBNYEWJXZPDPJA-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 156419
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1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
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(+)-1-(1-Naphthyl)ethylamine
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1-(2-(Naphthalen-2-yl)-1-phenylethyl)piperazine
CID 44414860
1-(2-(Naphthalen-1-yl)-1-phenylethyl)piperazine
CID 44414861
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
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(alphaS,2S)-alpha-[3-(Trifluoromethyl)phenyl]-1-benzhydrylazetidine-2alpha-methanamine
CID 10194236

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 60892912) is N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CC(N)c1cccc2ccccc12)CC(F)(F)F.
What is the InChIKey of N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is OBNYEWJXZPDPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-20(10-15(16,17)18)9-14(19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10,19H2,1H3.
What are the key properties of N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 282.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 60892912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).